REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qh8_1_A DATA FIRST_RESID 1 DATA SEQUENCE TNATGERNLA LIQEVLEVFP ETARKERRKH MMVSDPKMKS VGKCIISNRK DATA SEQUENCE SQPGVMTVRG CAYAGSKGVV FGPIKDMAHI SHGPVGCGQY SRAGRRNYYT DATA SEQUENCE GVSGVDSFGT LNFTSDFQER DIVFGGDKKL SKLIEEMELL FPLTKGITIQ DATA SEQUENCE SECPVGLIGD DISAVANASS KALDKPVIPV RCEGFRGVSQ SLGHHIANDV DATA SEQUENCE VRDWILNNRE GQPFETTPYD VAIIGDYNIG GDAWASRILL EEMGLRVVAQ DATA SEQUENCE WSGDGTLVEM ENTPFVKLNL VHCYRSMNYI ARHMEEKHQI PWMEYNFFGP DATA SEQUENCE TKIAESLRKI ADQFDDTIRA NAEAVIARYE GQMAAIIAKY RPRLEGRKVL DATA SEQUENCE LYMGGLRPRH VIGAYEDLGM EIIAAGYEFA HNDDYDRTLP DLKEGTLLFD DATA SEQUENCE DASSYELEAF VKALKPDLIG SGIKEKYIFQ KMGVPFRQMH SWDYSGPYHG DATA SEQUENCE YDGFAIFARD MDMTLNNPAW NELTAPWL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.695 174.700 -0.008 0.000 1.109 1 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 1 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 2 N N 1.099 119.793 118.700 -0.010 0.000 2.431 2 N HA 0.597 5.336 4.740 -0.000 0.000 0.289 2 N C 1.470 176.973 175.510 -0.011 0.000 1.277 2 N CA 0.107 53.151 53.050 -0.010 0.000 0.972 2 N CB -0.142 38.338 38.487 -0.011 0.000 1.143 2 N HN 0.771 nan 8.380 nan 0.000 0.578 3 A N -0.921 121.892 122.820 -0.011 0.000 2.015 3 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 3 A C 1.915 179.490 177.584 -0.015 0.000 1.163 3 A CA 1.597 53.627 52.037 -0.012 0.000 0.646 3 A CB -1.314 17.680 19.000 -0.010 0.000 0.806 3 A HN 0.774 nan 8.150 nan 0.000 0.448 4 T N -0.257 114.286 114.554 -0.019 0.000 2.777 4 T HA -0.025 4.324 4.350 -0.000 0.000 0.266 4 T C 2.016 176.700 174.700 -0.028 0.000 1.040 4 T CA 1.373 63.458 62.100 -0.025 0.000 1.141 4 T CB -0.585 68.266 68.868 -0.028 0.000 0.868 4 T HN 0.562 nan 8.240 nan 0.000 0.444 5 G N 1.307 110.093 108.800 -0.023 0.000 2.440 5 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 5 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 5 G C 1.465 176.353 174.900 -0.019 0.000 1.154 5 G CA 0.776 45.863 45.100 -0.022 0.000 0.767 5 G HN 0.511 nan 8.290 nan 0.000 0.552 6 E N 0.185 120.376 120.200 -0.015 0.000 2.051 6 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 6 E C 2.796 179.389 176.600 -0.011 0.000 0.991 6 E CA 0.642 57.035 56.400 -0.011 0.000 0.799 6 E CB -0.106 29.590 29.700 -0.008 0.000 0.748 6 E HN 0.365 nan 8.360 nan 0.000 0.449 7 R N 0.739 121.230 120.500 -0.015 0.000 2.091 7 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 7 R C 2.048 178.335 176.300 -0.022 0.000 1.136 7 R CA 1.268 57.359 56.100 -0.015 0.000 0.959 7 R CB -0.270 30.019 30.300 -0.019 0.000 0.856 7 R HN 0.128 nan 8.270 nan 0.000 0.437 8 N N 0.807 119.485 118.700 -0.037 0.000 2.244 8 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 8 N C 1.844 177.329 175.510 -0.042 0.000 1.016 8 N CA 0.991 54.005 53.050 -0.060 0.000 0.866 8 N CB -0.119 38.317 38.487 -0.085 0.000 0.980 8 N HN 0.196 nan 8.380 nan 0.000 0.430 9 L N 0.478 121.688 121.223 -0.022 0.000 2.093 9 L HA -0.064 4.275 4.340 -0.000 0.000 0.208 9 L C 2.345 179.221 176.870 0.010 0.000 1.085 9 L CA 1.032 55.868 54.840 -0.005 0.000 0.755 9 L CB -0.412 41.645 42.059 -0.003 0.000 0.904 9 L HN 0.102 nan 8.230 nan 0.000 0.435 10 A N -0.106 122.719 122.820 0.009 0.000 1.930 10 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 10 A C 2.191 179.797 177.584 0.035 0.000 1.175 10 A CA 1.472 53.521 52.037 0.020 0.000 0.627 10 A CB -0.595 18.413 19.000 0.014 0.000 0.815 10 A HN 0.326 nan 8.150 nan 0.000 0.443 11 L N -0.054 121.187 121.223 0.031 0.000 2.046 11 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 11 L C 2.175 179.114 176.870 0.116 0.000 1.077 11 L CA 1.677 56.554 54.840 0.062 0.000 0.747 11 L CB -0.444 41.636 42.059 0.035 0.000 0.896 11 L HN 0.417 nan 8.230 nan 0.000 0.432 12 I N -0.439 120.187 120.570 0.093 0.000 2.163 12 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 12 I C 3.027 179.220 176.117 0.127 0.000 1.085 12 I CA 1.777 63.160 61.300 0.138 0.000 1.347 12 I CB -0.872 37.171 38.000 0.072 0.000 1.044 12 I HN 0.523 nan 8.210 nan 0.000 0.408 13 Q N 0.659 120.509 119.800 0.083 0.000 2.045 13 Q HA -0.329 4.011 4.340 -0.000 0.000 0.206 13 Q C 2.095 178.149 176.000 0.090 0.000 0.991 13 Q CA 2.169 58.016 55.803 0.073 0.000 0.851 13 Q CB -1.120 27.648 28.738 0.050 0.000 0.911 13 Q HN 0.686 nan 8.270 nan 0.000 0.418 14 E N -0.412 119.842 120.200 0.090 0.000 2.106 14 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 14 E C 2.080 178.758 176.600 0.130 0.000 0.984 14 E CA 1.302 57.757 56.400 0.092 0.000 0.806 14 E CB -0.019 29.726 29.700 0.074 0.000 0.750 14 E HN 0.465 nan 8.360 nan 0.000 0.458 15 V N 1.459 121.470 119.914 0.162 0.000 2.358 15 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 15 V C 2.364 178.630 176.094 0.285 0.000 1.047 15 V CA 1.285 63.711 62.300 0.209 0.000 1.035 15 V CB -0.337 31.588 31.823 0.170 0.000 0.658 15 V HN 0.350 nan 8.190 nan 0.000 0.452 16 L N 0.246 121.614 121.223 0.242 0.000 2.610 16 L HA 0.002 4.342 4.340 -0.000 0.000 0.232 16 L C 2.775 179.800 176.870 0.258 0.000 1.149 16 L CA 0.959 55.971 54.840 0.286 0.000 0.872 16 L CB -1.010 41.115 42.059 0.110 0.000 0.992 16 L HN 0.556 nan 8.230 nan 0.000 0.447 17 E N 0.231 120.531 120.200 0.167 0.000 2.265 17 E HA -0.171 4.178 4.350 -0.000 0.000 0.196 17 E C 2.234 178.875 176.600 0.068 0.000 0.996 17 E CA 1.450 57.914 56.400 0.106 0.000 0.832 17 E CB -0.732 29.015 29.700 0.078 0.000 0.756 17 E HN 0.272 nan 8.360 nan 0.000 0.491 18 V N -0.489 119.440 119.914 0.025 0.000 2.515 18 V HA 0.071 4.191 4.120 -0.000 0.000 0.250 18 V C 0.550 176.501 176.094 -0.239 0.000 1.058 18 V CA 0.635 62.820 62.300 -0.191 0.000 1.064 18 V CB -0.550 30.942 31.823 -0.551 0.000 0.675 18 V HN 0.490 nan 8.190 nan 0.000 0.461 19 F N 1.453 121.312 119.950 -0.152 0.000 2.471 19 F HA 0.376 4.903 4.527 -0.001 0.000 0.353 19 F C -1.518 174.237 175.800 -0.075 0.000 1.113 19 F CA -2.247 55.680 58.000 -0.122 0.000 1.262 19 F CB -0.601 38.348 39.000 -0.084 0.000 1.146 19 F HN 0.058 nan 8.300 nan 0.000 0.578 20 P HA -0.060 nan 4.420 nan 0.000 0.266 20 P C 0.535 177.890 177.300 0.092 0.000 1.193 20 P CA 0.166 63.305 63.100 0.065 0.000 0.770 20 P CB 0.642 32.368 31.700 0.045 0.000 0.836 21 E N 1.800 122.032 120.200 0.054 0.000 2.097 21 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 21 E C 1.498 178.120 176.600 0.038 0.000 1.000 21 E CA 2.309 58.735 56.400 0.045 0.000 0.804 21 E CB -0.977 28.739 29.700 0.028 0.000 0.740 21 E HN 0.370 nan 8.360 nan 0.000 0.454 22 T N -0.124 114.451 114.554 0.035 0.000 2.652 22 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 22 T C 1.754 176.466 174.700 0.020 0.000 1.039 22 T CA 1.928 64.043 62.100 0.026 0.000 1.153 22 T CB -0.619 68.265 68.868 0.026 0.000 0.863 22 T HN 0.398 nan 8.240 nan 0.000 0.428 23 A N 1.235 124.081 122.820 0.043 0.000 1.933 23 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 23 A C 2.393 179.905 177.584 -0.121 0.000 1.175 23 A CA 2.053 54.096 52.037 0.011 0.000 0.628 23 A CB -0.795 18.302 19.000 0.161 0.000 0.814 23 A HN 0.344 nan 8.150 nan 0.000 0.444 24 R N -0.427 120.045 120.500 -0.045 0.000 2.083 24 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 24 R C 2.661 178.904 176.300 -0.095 0.000 1.137 24 R CA 2.741 58.780 56.100 -0.101 0.000 0.951 24 R CB -1.453 28.875 30.300 0.047 0.000 0.851 24 R HN 0.755 nan 8.270 nan 0.000 0.434 25 K N 0.905 121.283 120.400 -0.036 0.000 2.057 25 K HA -0.015 4.304 4.320 -0.000 0.000 0.207 25 K C 2.157 178.747 176.600 -0.017 0.000 1.049 25 K CA 1.677 57.954 56.287 -0.018 0.000 0.931 25 K CB -0.843 31.657 32.500 -0.001 0.000 0.714 25 K HN 0.575 nan 8.250 nan 0.000 0.440 26 E N 0.514 120.702 120.200 -0.021 0.000 2.051 26 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 26 E C 2.143 178.779 176.600 0.060 0.000 0.991 26 E CA 0.928 57.339 56.400 0.019 0.000 0.799 26 E CB -0.059 29.649 29.700 0.012 0.000 0.748 26 E HN 0.366 nan 8.360 nan 0.000 0.449 27 R N 0.546 120.984 120.500 -0.104 0.000 2.193 27 R HA -0.101 4.238 4.340 -0.000 0.000 0.229 27 R C 2.283 178.585 176.300 0.002 0.000 1.110 27 R CA 0.819 56.834 56.100 -0.142 0.000 0.988 27 R CB -0.595 29.363 30.300 -0.571 0.000 0.871 27 R HN 0.050 nan 8.270 nan 0.000 0.458 28 R N 1.014 121.507 120.500 -0.012 0.000 2.189 28 R HA -0.048 4.292 4.340 -0.000 0.000 0.218 28 R C 1.617 177.936 176.300 0.032 0.000 1.074 28 R CA 1.078 57.187 56.100 0.015 0.000 0.991 28 R CB -0.024 30.276 30.300 0.001 0.000 0.883 28 R HN -0.171 nan 8.270 nan 0.000 0.457 29 K N -0.553 119.867 120.400 0.033 0.000 2.487 29 K HA 0.072 4.392 4.320 -0.000 0.000 0.192 29 K C 0.629 177.129 176.600 -0.167 0.000 1.027 29 K CA 0.712 56.964 56.287 -0.058 0.000 1.054 29 K CB -0.295 32.148 32.500 -0.095 0.000 0.824 29 K HN 0.521 nan 8.250 nan 0.000 0.510 30 H N -0.086 118.973 119.070 -0.019 0.000 2.520 30 H HA 0.317 4.873 4.556 -0.001 0.000 0.284 30 H C 0.509 175.870 175.328 0.055 0.000 1.037 30 H CA 0.198 56.246 56.048 -0.000 0.000 1.168 30 H CB 0.117 29.910 29.762 0.052 0.000 1.497 30 H HN 0.369 nan 8.280 nan 0.000 0.547 31 M N 0.033 119.705 119.600 0.120 0.000 2.520 31 M HA 0.536 5.015 4.480 -0.000 0.000 0.283 31 M C -1.158 175.170 176.300 0.046 0.000 1.237 31 M CA -1.040 54.341 55.300 0.135 0.000 0.885 31 M CB 3.567 36.278 32.600 0.185 0.000 1.727 31 M HN 0.008 nan 8.290 nan 0.000 0.468 32 M N 1.355 120.980 119.600 0.041 0.000 2.880 32 M HA 0.838 5.318 4.480 -0.000 0.000 0.269 32 M C -1.631 174.675 176.300 0.011 0.000 1.248 32 M CA -0.979 54.328 55.300 0.011 0.000 0.821 32 M CB 2.312 34.909 32.600 -0.006 0.000 1.650 32 M HN 0.712 nan 8.290 nan 0.000 0.479 33 V N -0.068 119.846 119.914 0.000 0.000 2.495 33 V HA 0.820 4.940 4.120 -0.000 0.000 0.298 33 V C 0.027 176.122 176.094 0.002 0.000 1.031 33 V CA -0.256 62.041 62.300 -0.005 0.000 0.871 33 V CB 1.212 33.025 31.823 -0.017 0.000 0.988 33 V HN 1.045 nan 8.190 nan 0.000 0.432 34 S N 2.462 118.166 115.700 0.006 0.000 2.585 34 S HA 0.481 4.951 4.470 -0.000 0.000 0.273 34 S C -0.379 174.222 174.600 0.002 0.000 1.339 34 S CA -0.241 57.965 58.200 0.010 0.000 1.028 34 S CB 1.227 64.435 63.200 0.013 0.000 0.906 34 S HN 1.094 nan 8.310 nan 0.000 0.528 35 D N 0.831 121.232 120.400 0.003 0.000 2.696 35 D HA 0.394 5.033 4.640 -0.000 0.000 0.251 35 D C -1.976 174.323 176.300 -0.002 0.000 1.188 35 D CA -2.257 51.742 54.000 -0.002 0.000 0.876 35 D CB 2.008 42.807 40.800 -0.002 0.000 1.334 35 D HN 0.268 nan 8.370 nan 0.000 0.540 36 P HA -0.020 nan 4.420 nan 0.000 0.230 36 P C 0.549 177.845 177.300 -0.007 0.000 1.158 36 P CA 0.546 63.642 63.100 -0.006 0.000 0.769 36 P CB 0.449 32.145 31.700 -0.008 0.000 0.807 37 K N -1.061 119.336 120.400 -0.006 0.000 2.444 37 K HA 0.179 4.498 4.320 -0.000 0.000 0.193 37 K C 1.023 177.620 176.600 -0.006 0.000 1.024 37 K CA -0.043 56.240 56.287 -0.006 0.000 1.077 37 K CB 0.002 32.498 32.500 -0.006 0.000 0.833 37 K HN 0.222 nan 8.250 nan 0.000 0.517 38 M N 0.844 120.442 119.600 -0.004 0.000 2.157 38 M HA 0.096 4.576 4.480 -0.000 0.000 0.354 38 M C 0.816 177.115 176.300 -0.003 0.000 1.170 38 M CA 0.150 55.449 55.300 -0.002 0.000 1.060 38 M CB 1.241 33.842 32.600 0.002 0.000 1.615 38 M HN -0.052 nan 8.290 nan 0.000 0.460 39 K N 2.539 122.936 120.400 -0.005 0.000 2.284 39 K HA 0.175 4.495 4.320 -0.000 0.000 0.198 39 K C 0.507 177.104 176.600 -0.005 0.000 1.048 39 K CA 1.133 57.415 56.287 -0.009 0.000 0.987 39 K CB 0.083 nan 32.500 nan 0.000 0.800 39 K HN 0.826 nan 8.250 nan 0.000 0.486 40 S N -1.178 114.523 115.700 0.001 0.000 2.564 40 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 40 S C 1.019 175.627 174.600 0.014 0.000 1.124 40 S CA -0.042 58.163 58.200 0.007 0.000 0.869 40 S CB 1.612 64.814 63.200 0.004 0.000 1.105 40 S HN 0.685 nan 8.310 nan 0.000 0.472 41 V N 0.824 120.754 119.914 0.026 0.000 2.667 41 V HA 0.395 4.515 4.120 -0.000 0.000 0.252 41 V C 1.897 177.991 176.094 -0.001 0.000 1.065 41 V CA 1.531 63.843 62.300 0.019 0.000 1.083 41 V CB -2.114 29.726 31.823 0.028 0.000 0.692 41 V HN 2.018 nan 8.190 nan 0.000 0.468 42 G N 1.148 109.949 108.800 0.002 0.000 2.596 42 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.304 42 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.304 42 G C 0.742 175.631 174.900 -0.017 0.000 1.189 42 G CA 1.030 46.127 45.100 -0.005 0.000 0.986 42 G HN 0.718 nan 8.290 nan 0.000 0.548 43 K N -0.587 119.800 120.400 -0.022 0.000 2.374 43 K HA 0.290 4.610 4.320 -0.000 0.000 0.196 43 K C 2.151 178.723 176.600 -0.046 0.000 1.023 43 K CA 1.050 57.317 56.287 -0.033 0.000 1.103 43 K CB -0.185 32.300 32.500 -0.024 0.000 0.848 43 K HN 0.652 nan 8.250 nan 0.000 0.528 44 C N 0.419 119.694 119.300 -0.042 0.000 2.432 44 C HA 0.311 4.771 4.460 -0.000 0.000 0.280 44 C C 1.230 176.174 174.990 -0.078 0.000 1.353 44 C CA 0.161 59.152 59.018 -0.045 0.000 1.766 44 C CB -0.645 27.078 27.740 -0.028 0.000 1.924 44 C HN 0.570 nan 8.230 nan 0.000 0.509 45 I N -0.397 120.102 120.570 -0.119 0.000 3.006 45 I HA 0.545 4.715 4.170 -0.000 0.000 0.306 45 I C -1.296 174.672 176.117 -0.247 0.000 1.250 45 I CA -1.019 60.156 61.300 -0.209 0.000 0.996 45 I CB 1.895 39.713 38.000 -0.303 0.000 1.261 45 I HN 0.189 nan 8.210 nan 0.000 0.442 46 I N 2.294 122.646 120.570 -0.362 0.000 2.892 46 I HA 0.880 5.050 4.170 -0.000 0.000 0.306 46 I C -0.724 175.140 176.117 -0.421 0.000 1.078 46 I CA -0.286 60.807 61.300 -0.345 0.000 1.032 46 I CB 2.147 39.952 38.000 -0.325 0.000 1.229 46 I HN 0.617 nan 8.210 nan 0.000 0.435 47 S N 1.374 116.967 115.700 -0.179 0.000 2.636 47 S HA 0.390 4.860 4.470 -0.000 0.000 0.268 47 S C -0.236 174.409 174.600 0.076 0.000 1.159 47 S CA -0.381 57.836 58.200 0.029 0.000 0.815 47 S CB 1.216 64.509 63.200 0.154 0.000 1.130 47 S HN 1.155 nan 8.310 nan 0.000 0.471 48 N N 0.261 119.043 118.700 0.136 0.000 2.754 48 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 48 N C -0.566 174.966 175.510 0.036 0.000 1.093 48 N CA 0.444 53.505 53.050 0.019 0.000 0.699 48 N CB -0.580 37.715 38.487 -0.321 0.000 1.016 48 N HN 0.623 nan 8.380 nan 0.000 0.552 49 R N 0.041 120.620 120.500 0.131 0.000 2.691 49 R HA 0.297 4.637 4.340 -0.000 0.000 0.259 49 R C 0.044 176.411 176.300 0.113 0.000 1.048 49 R CA -0.677 55.496 56.100 0.122 0.000 1.086 49 R CB 0.640 31.054 30.300 0.190 0.000 1.166 49 R HN -0.067 nan 8.270 nan 0.000 0.526 50 K N 1.014 121.464 120.400 0.084 0.000 2.469 50 K HA 0.042 4.362 4.320 -0.000 0.000 0.274 50 K C 0.276 176.916 176.600 0.067 0.000 0.983 50 K CA -0.123 56.207 56.287 0.072 0.000 0.974 50 K CB 0.376 32.911 32.500 0.058 0.000 0.913 50 K HN 0.756 nan 8.250 nan 0.000 0.493 51 S N 2.213 117.954 115.700 0.068 0.000 2.576 51 S HA 0.126 4.596 4.470 -0.000 0.000 0.276 51 S C 0.104 174.730 174.600 0.043 0.000 1.339 51 S CA -0.973 57.262 58.200 0.058 0.000 1.039 51 S CB 0.495 63.746 63.200 0.084 0.000 0.902 51 S HN 0.511 nan 8.310 nan 0.000 0.516 52 Q N 1.760 121.579 119.800 0.032 0.000 2.311 52 Q HA 0.209 4.549 4.340 -0.000 0.000 0.272 52 Q C -2.273 173.763 176.000 0.060 0.000 1.012 52 Q CA -1.353 54.479 55.803 0.049 0.000 0.891 52 Q CB -0.270 28.514 28.738 0.076 0.000 1.201 52 Q HN 0.455 nan 8.270 nan 0.000 0.391 53 P HA 0.010 nan 4.420 nan 0.000 0.266 53 P C 0.619 177.942 177.300 0.037 0.000 1.195 53 P CA 0.662 63.787 63.100 0.041 0.000 0.768 53 P CB 0.465 32.183 31.700 0.030 0.000 0.838 54 G N 1.832 110.649 108.800 0.029 0.000 2.184 54 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.264 54 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.264 54 G C 0.592 175.497 174.900 0.009 0.000 0.975 54 G CA 0.364 45.472 45.100 0.013 0.000 0.642 54 G HN 0.616 nan 8.290 nan 0.000 0.536 55 V N -2.842 117.094 119.914 0.037 0.000 3.647 55 V HA 0.648 4.768 4.120 -0.000 0.000 0.279 55 V C 1.275 177.401 176.094 0.053 0.000 1.314 55 V CA 1.146 63.471 62.300 0.042 0.000 1.125 55 V CB 0.091 31.992 31.823 0.130 0.000 0.907 55 V HN 1.124 nan 8.190 nan 0.000 0.434 56 M N 1.311 120.941 119.600 0.050 0.000 2.505 56 M HA -0.153 4.327 4.480 -0.000 0.000 0.194 56 M C 0.272 176.627 176.300 0.092 0.000 0.771 56 M CA 0.872 56.206 55.300 0.057 0.000 0.553 56 M CB -1.362 31.261 32.600 0.038 0.000 1.354 56 M HN 0.771 nan 8.290 nan 0.000 0.874 57 T N -0.828 113.791 114.554 0.107 0.000 2.926 57 T HA 0.318 4.668 4.350 -0.000 0.000 0.307 57 T C 1.139 175.941 174.700 0.170 0.000 1.059 57 T CA 0.077 62.267 62.100 0.150 0.000 1.122 57 T CB 0.968 69.927 68.868 0.151 0.000 0.972 57 T HN 0.315 nan 8.240 nan 0.000 0.545 58 V N 4.263 124.323 119.914 0.245 0.000 2.871 58 V HA 0.051 4.171 4.120 -0.000 0.000 0.256 58 V C 1.710 177.949 176.094 0.243 0.000 1.082 58 V CA 1.041 63.504 62.300 0.271 0.000 1.105 58 V CB -0.788 31.302 31.823 0.446 0.000 0.713 58 V HN 0.755 nan 8.190 nan 0.000 0.473 59 R N 0.397 121.048 120.500 0.251 0.000 2.756 59 R HA 0.327 4.667 4.340 -0.000 0.000 0.264 59 R C 0.813 177.207 176.300 0.157 0.000 1.026 59 R CA 0.617 56.862 56.100 0.241 0.000 1.121 59 R CB 0.166 30.602 30.300 0.227 0.000 0.999 59 R HN 0.420 nan 8.270 nan 0.000 0.449 60 G N 0.286 109.166 108.800 0.133 0.000 2.782 60 G HA2 0.450 4.409 3.960 -0.000 0.000 0.201 60 G HA3 0.450 4.409 3.960 -0.000 0.000 0.201 60 G C -0.513 174.404 174.900 0.029 0.000 1.374 60 G CA -0.382 44.762 45.100 0.072 0.000 1.039 60 G HN 0.822 nan 8.290 nan 0.000 0.576 61 C N -3.477 115.829 119.300 0.010 0.000 3.028 61 C HA 0.829 5.289 4.460 -0.000 0.000 0.338 61 C C 1.967 176.921 174.990 -0.060 0.000 1.366 61 C CA 0.151 59.163 59.018 -0.010 0.000 1.610 61 C CB 1.268 29.026 27.740 0.031 0.000 2.063 61 C HN 1.083 nan 8.230 nan 0.000 0.463 62 A N -0.456 122.318 122.820 -0.077 0.000 2.019 62 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 62 A C 1.821 179.369 177.584 -0.060 0.000 1.164 62 A CA 1.958 53.925 52.037 -0.116 0.000 0.644 62 A CB -1.016 17.901 19.000 -0.138 0.000 0.805 62 A HN 1.258 nan 8.150 nan 0.000 0.449 63 Y N 0.423 120.650 120.300 -0.122 0.000 2.263 63 Y HA 0.040 4.590 4.550 -0.000 0.000 0.292 63 Y C 2.465 178.325 175.900 -0.067 0.000 1.130 63 Y CA 0.938 58.984 58.100 -0.089 0.000 1.179 63 Y CB -0.436 37.975 38.460 -0.082 0.000 0.998 63 Y HN 0.285 nan 8.280 nan 0.000 0.532 64 A N 0.460 123.300 122.820 0.033 0.000 1.902 64 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 64 A C 2.446 179.926 177.584 -0.172 0.000 1.181 64 A CA 1.740 53.733 52.037 -0.074 0.000 0.623 64 A CB -1.689 17.316 19.000 0.008 0.000 0.818 64 A HN 0.600 nan 8.150 nan 0.000 0.443 65 G N -1.288 107.397 108.800 -0.191 0.000 2.422 65 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.218 65 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.218 65 G C 1.886 176.734 174.900 -0.086 0.000 1.140 65 G CA 1.508 46.489 45.100 -0.199 0.000 0.775 65 G HN 0.573 nan 8.290 nan 0.000 0.545 66 S N -0.483 115.146 115.700 -0.119 0.000 2.339 66 S HA 0.028 4.498 4.470 -0.000 0.000 0.213 66 S C 2.259 176.827 174.600 -0.053 0.000 1.033 66 S CA 1.430 59.614 58.200 -0.027 0.000 0.950 66 S CB -0.242 62.965 63.200 0.012 0.000 0.893 66 S HN 0.206 nan 8.310 nan 0.000 0.492 67 K N 0.708 120.921 120.400 -0.311 0.000 2.007 67 K HA 0.019 4.339 4.320 -0.000 0.000 0.206 67 K C 2.169 178.565 176.600 -0.340 0.000 1.047 67 K CA 1.586 57.630 56.287 -0.405 0.000 0.937 67 K CB -1.241 30.727 32.500 -0.887 0.000 0.718 67 K HN 0.438 nan 8.250 nan 0.000 0.438 68 G N 0.571 109.140 108.800 -0.385 0.000 2.422 68 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 68 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 68 G C 1.501 176.289 174.900 -0.186 0.000 1.146 68 G CA 0.958 45.928 45.100 -0.217 0.000 0.769 68 G HN 0.228 nan 8.290 nan 0.000 0.547 69 V N -0.577 119.206 119.914 -0.218 0.000 2.602 69 V HA 0.048 4.167 4.120 -0.000 0.000 0.235 69 V C 2.732 178.591 176.094 -0.391 0.000 1.087 69 V CA 0.759 62.858 62.300 -0.334 0.000 1.117 69 V CB 0.226 31.886 31.823 -0.272 0.000 0.820 69 V HN 0.168 nan 8.190 nan 0.000 0.490 70 V N -0.675 119.075 119.914 -0.272 0.000 2.302 70 V HA -0.093 4.027 4.120 -0.000 0.000 0.243 70 V C 2.099 178.012 176.094 -0.303 0.000 1.036 70 V CA 2.073 64.225 62.300 -0.246 0.000 1.020 70 V CB -0.539 31.076 31.823 -0.346 0.000 0.657 70 V HN 0.443 nan 8.190 nan 0.000 0.453 71 F N 1.100 120.912 119.950 -0.230 0.000 2.387 71 F HA 0.237 4.764 4.527 -0.001 0.000 0.294 71 F C 2.405 177.771 175.800 -0.724 0.000 1.093 71 F CA 0.891 58.655 58.000 -0.393 0.000 1.420 71 F CB -1.120 37.628 39.000 -0.419 0.000 1.086 71 F HN 0.166 nan 8.300 nan 0.000 0.531 72 G N 1.087 109.662 108.800 -0.374 0.000 2.475 72 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 72 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 72 G C -0.847 173.988 174.900 -0.107 0.000 1.125 72 G CA 0.716 45.624 45.100 -0.320 0.000 0.755 72 G HN 0.246 nan 8.290 nan 0.000 0.565 73 P HA 0.092 nan 4.420 nan 0.000 0.229 73 P C 0.568 177.898 177.300 0.050 0.000 1.160 73 P CA 0.244 63.377 63.100 0.054 0.000 0.777 73 P CB 0.133 31.905 31.700 0.120 0.000 0.814 74 I N 1.530 122.148 120.570 0.080 0.000 2.578 74 I HA -0.043 4.127 4.170 -0.000 0.000 0.286 74 I C 1.813 178.017 176.117 0.145 0.000 1.126 74 I CA 0.151 61.526 61.300 0.125 0.000 1.380 74 I CB 0.479 38.588 38.000 0.181 0.000 1.408 74 I HN 0.026 nan 8.210 nan 0.000 0.532 75 K N 4.511 124.909 120.400 -0.004 0.000 2.228 75 K HA -0.109 4.210 4.320 -0.000 0.000 0.202 75 K C 0.767 177.351 176.600 -0.027 0.000 1.051 75 K CA 0.977 57.161 56.287 -0.170 0.000 0.960 75 K CB 0.024 32.346 32.500 -0.297 0.000 0.743 75 K HN 0.653 nan 8.250 nan 0.000 0.458 76 D N 0.641 121.086 120.400 0.074 0.000 2.328 76 D HA 0.064 4.703 4.640 -0.000 0.000 0.221 76 D C 0.310 176.739 176.300 0.215 0.000 1.072 76 D CA 0.008 54.109 54.000 0.167 0.000 0.850 76 D CB 0.033 40.897 40.800 0.108 0.000 0.922 76 D HN 0.230 nan 8.370 nan 0.000 0.516 77 M N 0.312 119.972 119.600 0.099 0.000 2.598 77 M HA 0.624 5.104 4.480 -0.000 0.000 0.317 77 M C -0.762 175.267 176.300 -0.451 0.000 1.179 77 M CA -1.089 54.102 55.300 -0.180 0.000 0.936 77 M CB 2.662 35.128 32.600 -0.224 0.000 1.713 77 M HN -0.094 nan 8.290 nan 0.000 0.460 78 A N 1.413 123.823 122.820 -0.684 0.000 2.276 78 A HA 0.557 4.877 4.320 -0.000 0.000 0.316 78 A C -1.070 176.083 177.584 -0.717 0.000 1.229 78 A CA -0.643 50.938 52.037 -0.760 0.000 0.851 78 A CB 0.198 18.456 19.000 -1.236 0.000 1.165 78 A HN 0.794 nan 8.150 nan 0.000 0.513 79 H N 2.977 122.030 119.070 -0.030 0.000 2.556 79 H HA 0.347 4.903 4.556 -0.000 0.000 0.310 79 H C -0.633 174.711 175.328 0.026 0.000 1.057 79 H CA -0.216 55.804 56.048 -0.047 0.000 1.264 79 H CB 0.974 30.734 29.762 -0.004 0.000 1.404 79 H HN 0.523 nan 8.280 nan 0.000 0.462 80 I N 2.195 122.771 120.570 0.011 0.000 2.325 80 I HA 0.042 4.212 4.170 -0.000 0.000 0.291 80 I C 0.435 176.611 176.117 0.099 0.000 1.019 80 I CA -0.252 61.076 61.300 0.045 0.000 1.302 80 I CB 0.973 38.927 38.000 -0.077 0.000 1.401 80 I HN 0.349 nan 8.210 nan 0.000 0.485 81 S N 4.892 120.681 115.700 0.149 0.000 2.416 81 S HA 0.113 4.583 4.470 -0.000 0.000 0.302 81 S C -0.304 174.341 174.600 0.076 0.000 1.120 81 S CA -0.207 58.096 58.200 0.172 0.000 1.067 81 S CB -0.466 62.840 63.200 0.176 0.000 1.057 81 S HN 0.401 nan 8.310 nan 0.000 0.518 82 H N 2.354 121.367 119.070 -0.094 0.000 2.641 82 H HA 0.642 5.198 4.556 -0.000 0.000 0.295 82 H C 0.423 175.438 175.328 -0.521 0.000 1.070 82 H CA 0.780 56.696 56.048 -0.220 0.000 1.257 82 H CB -0.066 29.621 29.762 -0.126 0.000 1.393 82 H HN 0.791 nan 8.280 nan 0.000 0.464 83 G N 4.082 112.231 108.800 -1.086 0.000 2.332 83 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.265 83 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.265 83 G C -2.959 171.518 174.900 -0.705 0.000 1.329 83 G CA -0.958 43.246 45.100 -1.494 0.000 0.949 83 G HN 0.457 nan 8.290 nan 0.000 0.476 84 P HA 0.317 nan 4.420 nan 0.000 0.274 84 P C 1.070 178.284 177.300 -0.143 0.000 1.260 84 P CA -0.179 62.852 63.100 -0.116 0.000 0.793 84 P CB 1.041 32.702 31.700 -0.065 0.000 1.048 85 V N 0.955 120.813 119.914 -0.093 0.000 2.871 85 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 85 V C 1.997 177.952 176.094 -0.233 0.000 1.082 85 V CA 2.452 64.677 62.300 -0.126 0.000 1.105 85 V CB -1.415 30.359 31.823 -0.082 0.000 0.713 85 V HN 0.729 nan 8.190 nan 0.000 0.473 86 G N -0.380 108.274 108.800 -0.243 0.000 2.511 86 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 86 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 86 G C 1.757 176.307 174.900 -0.583 0.000 1.218 86 G CA 1.434 46.260 45.100 -0.457 0.000 0.788 86 G HN 0.579 nan 8.290 nan 0.000 0.560 87 C N 0.984 120.110 119.300 -0.291 0.000 2.385 87 C HA -0.009 4.451 4.460 -0.000 0.000 0.275 87 C C 3.217 178.135 174.990 -0.120 0.000 1.207 87 C CA 0.713 59.572 59.018 -0.265 0.000 1.760 87 C CB -1.451 25.807 27.740 -0.803 0.000 2.051 87 C HN 0.506 nan 8.230 nan 0.000 0.467 88 G N -0.626 108.097 108.800 -0.129 0.000 2.422 88 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 88 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 88 G C 1.581 176.442 174.900 -0.065 0.000 1.140 88 G CA 1.057 46.165 45.100 0.014 0.000 0.775 88 G HN 0.580 nan 8.290 nan 0.000 0.545 89 Q N -0.326 119.329 119.800 -0.242 0.000 2.083 89 Q HA -0.043 4.296 4.340 -0.000 0.000 0.198 89 Q C 2.176 178.075 176.000 -0.168 0.000 0.969 89 Q CA 1.231 56.878 55.803 -0.259 0.000 0.838 89 Q CB -0.379 28.111 28.738 -0.414 0.000 0.900 89 Q HN 0.564 nan 8.270 nan 0.000 0.436 90 Y N -0.177 120.142 120.300 0.031 0.000 2.293 90 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 90 Y C 2.231 178.168 175.900 0.063 0.000 1.137 90 Y CA 1.146 59.271 58.100 0.041 0.000 1.202 90 Y CB -0.619 37.860 38.460 0.032 0.000 0.990 90 Y HN 0.258 nan 8.280 nan 0.000 0.537 91 S N -0.048 115.767 115.700 0.192 0.000 2.597 91 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 91 S C 0.698 175.361 174.600 0.105 0.000 0.955 91 S CA -0.701 57.595 58.200 0.161 0.000 0.933 91 S CB -0.361 62.968 63.200 0.215 0.000 0.788 91 S HN 0.285 nan 8.310 nan 0.000 0.488 92 R N 1.731 122.277 120.500 0.077 0.000 2.345 92 R HA 0.424 4.763 4.340 -0.000 0.000 0.331 92 R C 0.724 177.066 176.300 0.069 0.000 1.067 92 R CA 0.717 56.848 56.100 0.051 0.000 0.962 92 R CB -0.505 29.803 30.300 0.013 0.000 0.987 92 R HN 0.516 nan 8.270 nan 0.000 0.451 93 A N 3.130 125.999 122.820 0.081 0.000 2.826 93 A HA -0.203 4.117 4.320 -0.000 0.000 0.274 93 A C 1.159 178.809 177.584 0.110 0.000 1.443 93 A CA 1.122 53.220 52.037 0.101 0.000 0.833 93 A CB -2.055 16.998 19.000 0.089 0.000 1.023 93 A HN 0.970 nan 8.150 nan 0.000 0.600 94 G N -1.004 107.859 108.800 0.105 0.000 2.453 94 G HA2 0.202 4.161 3.960 -0.000 0.000 0.215 94 G HA3 0.202 4.161 3.960 -0.000 0.000 0.215 94 G C 0.705 175.667 174.900 0.104 0.000 1.147 94 G CA 0.818 45.985 45.100 0.112 0.000 0.802 94 G HN 0.859 nan 8.290 nan 0.000 0.535 95 R N 0.513 121.062 120.500 0.081 0.000 2.312 95 R HA 0.399 4.739 4.340 -0.000 0.000 0.311 95 R C -0.078 176.272 176.300 0.084 0.000 1.004 95 R CA -0.643 55.485 56.100 0.047 0.000 0.902 95 R CB 0.590 30.896 30.300 0.010 0.000 1.073 95 R HN -0.001 nan 8.270 nan 0.000 0.457 96 R N 3.442 123.972 120.500 0.050 0.000 4.609 96 R HA 0.053 4.392 4.340 -0.000 0.000 0.235 96 R C -0.305 176.034 176.300 0.065 0.000 1.836 96 R CA -0.075 56.090 56.100 0.109 0.000 1.564 96 R CB -0.451 29.838 30.300 -0.020 0.000 1.382 96 R HN 0.619 nan 8.270 nan 0.000 0.776 97 N N 0.792 119.578 118.700 0.143 0.000 2.739 97 N HA -0.017 4.723 4.740 -0.000 0.000 0.266 97 N C -0.741 174.935 175.510 0.277 0.000 1.168 97 N CA -0.331 52.802 53.050 0.138 0.000 1.055 97 N CB 0.363 38.925 38.487 0.125 0.000 1.393 97 N HN 0.043 nan 8.380 nan 0.000 0.514 98 Y N 2.292 122.542 120.300 -0.085 0.000 2.578 98 Y HA 0.030 4.580 4.550 -0.000 0.000 0.339 98 Y C 0.298 176.161 175.900 -0.061 0.000 1.231 98 Y CA -0.573 57.443 58.100 -0.140 0.000 1.461 98 Y CB 0.065 38.354 38.460 -0.285 0.000 1.323 98 Y HN 0.488 nan 8.280 nan 0.000 0.590 99 Y N -1.673 118.733 120.300 0.176 0.000 2.638 99 Y HA 0.641 5.191 4.550 -0.000 0.000 0.335 99 Y C -0.848 175.261 175.900 0.347 0.000 1.155 99 Y CA -1.549 56.730 58.100 0.299 0.000 1.046 99 Y CB 0.868 39.428 38.460 0.167 0.000 1.303 99 Y HN 0.504 nan 8.280 nan 0.000 0.460 100 T N -0.488 114.358 114.554 0.488 0.000 2.888 100 T HA 0.940 5.290 4.350 -0.000 0.000 0.284 100 T C -0.003 174.871 174.700 0.290 0.000 1.017 100 T CA -0.045 62.184 62.100 0.215 0.000 1.022 100 T CB 1.258 70.174 68.868 0.079 0.000 1.013 100 T HN 2.021 nan 8.240 nan 0.000 0.465 101 G N 0.122 109.022 108.800 0.167 0.000 2.341 101 G HA2 0.415 4.375 3.960 -0.000 0.000 0.293 101 G HA3 0.415 4.375 3.960 -0.000 0.000 0.293 101 G C -1.804 173.141 174.900 0.076 0.000 1.298 101 G CA -0.477 44.702 45.100 0.133 0.000 0.868 101 G HN 1.026 nan 8.290 nan 0.000 0.540 102 V N 1.372 121.301 119.914 0.026 0.000 2.293 102 V HA 0.548 4.668 4.120 -0.000 0.000 0.275 102 V C 1.005 177.088 176.094 -0.019 0.000 1.021 102 V CA -0.210 62.096 62.300 0.009 0.000 0.815 102 V CB 0.869 32.694 31.823 0.003 0.000 1.025 102 V HN 1.015 nan 8.190 nan 0.000 0.448 103 S N 4.220 119.937 115.700 0.028 0.000 2.575 103 S HA 0.316 4.785 4.470 -0.000 0.000 0.295 103 S C 1.484 176.119 174.600 0.057 0.000 1.267 103 S CA 1.171 59.393 58.200 0.038 0.000 1.074 103 S CB -0.061 63.183 63.200 0.073 0.000 0.829 103 S HN 1.848 nan 8.310 nan 0.000 0.497 104 G N 2.729 111.576 108.800 0.077 0.000 2.179 104 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 104 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 104 G C 0.554 175.724 174.900 0.450 0.000 0.977 104 G CA 0.411 45.741 45.100 0.383 0.000 0.641 104 G HN 0.856 nan 8.290 nan 0.000 0.533 105 V N 0.452 120.435 119.914 0.116 0.000 3.134 105 V HA 0.231 4.351 4.120 -0.000 0.000 0.222 105 V C 1.839 177.949 176.094 0.027 0.000 1.247 105 V CA 1.867 64.252 62.300 0.142 0.000 1.281 105 V CB 0.336 32.200 31.823 0.068 0.000 1.169 105 V HN 0.447 nan 8.190 nan 0.000 0.512 106 D N 0.119 120.390 120.400 -0.215 0.000 2.474 106 D HA 0.110 4.749 4.640 -0.000 0.000 0.213 106 D C 0.464 176.410 176.300 -0.590 0.000 1.120 106 D CA 0.717 54.587 54.000 -0.218 0.000 0.836 106 D CB 0.426 41.202 40.800 -0.040 0.000 1.019 106 D HN 0.514 nan 8.370 nan 0.000 0.507 107 S N -0.745 114.379 115.700 -0.960 0.000 2.540 107 S HA 0.627 5.097 4.470 -0.000 0.000 0.275 107 S C -0.807 173.206 174.600 -0.978 0.000 1.123 107 S CA -0.841 56.847 58.200 -0.854 0.000 0.907 107 S CB 0.852 63.886 63.200 -0.276 0.000 1.081 107 S HN -0.027 nan 8.310 nan 0.000 0.476 108 F N 0.546 120.443 119.950 -0.088 0.000 2.817 108 F HA 0.432 4.959 4.527 -0.000 0.000 0.319 108 F C 1.872 177.645 175.800 -0.046 0.000 1.136 108 F CA -0.574 57.425 58.000 -0.002 0.000 1.177 108 F CB 0.341 39.410 39.000 0.115 0.000 1.088 108 F HN 0.781 nan 8.300 nan 0.000 0.520 109 G N 0.259 109.004 108.800 -0.093 0.000 2.448 109 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 109 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 109 G C 1.591 176.571 174.900 0.133 0.000 1.135 109 G CA 1.515 46.615 45.100 0.001 0.000 0.784 109 G HN 0.370 nan 8.290 nan 0.000 0.543 110 T N -1.378 113.278 114.554 0.170 0.000 3.107 110 T HA 0.409 4.759 4.350 -0.000 0.000 0.249 110 T C 0.648 175.342 174.700 -0.011 0.000 1.096 110 T CA -0.380 61.787 62.100 0.111 0.000 1.012 110 T CB 0.117 69.065 68.868 0.134 0.000 0.977 110 T HN -0.075 nan 8.240 nan 0.000 0.527 111 L N 2.768 123.921 121.223 -0.115 0.000 2.395 111 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 111 L C 0.239 176.847 176.870 -0.437 0.000 1.133 111 L CA -0.402 54.227 54.840 -0.351 0.000 0.812 111 L CB 0.744 42.368 42.059 -0.724 0.000 1.125 111 L HN 0.163 nan 8.230 nan 0.000 0.452 112 N N 1.903 120.360 118.700 -0.405 0.000 2.511 112 N HA 0.291 5.031 4.740 -0.000 0.000 0.249 112 N C -1.460 173.853 175.510 -0.329 0.000 0.971 112 N CA -0.341 52.545 53.050 -0.274 0.000 0.938 112 N CB 0.165 38.577 38.487 -0.126 0.000 1.131 112 N HN 0.163 nan 8.380 nan 0.000 0.505 113 F N 1.369 121.287 119.950 -0.053 0.000 2.404 113 F HA 0.467 4.994 4.527 -0.001 0.000 0.345 113 F C 1.274 177.054 175.800 -0.033 0.000 1.110 113 F CA -0.361 57.591 58.000 -0.080 0.000 1.130 113 F CB 1.710 40.615 39.000 -0.158 0.000 1.129 113 F HN 0.231 nan 8.300 nan 0.000 0.500 114 T N -0.024 114.627 114.554 0.162 0.000 2.868 114 T HA 0.354 4.703 4.350 -0.000 0.000 0.306 114 T C 0.337 175.114 174.700 0.127 0.000 1.224 114 T CA -0.363 61.800 62.100 0.105 0.000 1.012 114 T CB 1.274 70.165 68.868 0.037 0.000 1.221 114 T HN 0.554 nan 8.240 nan 0.000 0.499 115 S N 1.739 117.534 115.700 0.158 0.000 2.575 115 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 115 S C 0.524 175.276 174.600 0.254 0.000 0.966 115 S CA 0.577 58.928 58.200 0.251 0.000 0.911 115 S CB -0.462 63.034 63.200 0.493 0.000 0.780 115 S HN 0.921 nan 8.310 nan 0.000 0.514 116 D N 1.207 121.693 120.400 0.142 0.000 2.810 116 D HA -0.198 4.441 4.640 -0.000 0.000 0.224 116 D C -0.973 175.461 176.300 0.223 0.000 1.222 116 D CA 0.312 54.384 54.000 0.120 0.000 0.698 116 D CB -1.841 39.010 40.800 0.085 0.000 0.961 116 D HN 0.281 nan 8.370 nan 0.000 0.403 117 F N 0.994 120.927 119.950 -0.030 0.000 2.607 117 F HA 0.147 4.673 4.527 -0.001 0.000 0.374 117 F C 1.552 177.335 175.800 -0.029 0.000 1.104 117 F CA 0.187 58.165 58.000 -0.037 0.000 1.296 117 F CB 0.443 39.398 39.000 -0.076 0.000 1.085 117 F HN 0.169 nan 8.300 nan 0.000 0.584 118 Q N 1.576 121.423 119.800 0.078 0.000 2.486 118 Q HA 0.173 4.513 4.340 -0.000 0.000 0.274 118 Q C 1.202 177.181 176.000 -0.034 0.000 1.076 118 Q CA -0.643 55.174 55.803 0.023 0.000 0.872 118 Q CB 0.801 29.544 28.738 0.009 0.000 1.383 118 Q HN 0.716 nan 8.270 nan 0.000 0.478 119 E N 0.705 120.880 120.200 -0.041 0.000 2.153 119 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 119 E C 1.726 178.237 176.600 -0.149 0.000 0.988 119 E CA 0.999 57.351 56.400 -0.080 0.000 0.811 119 E CB 0.201 29.859 29.700 -0.070 0.000 0.746 119 E HN 0.430 nan 8.360 nan 0.000 0.466 120 R N 0.422 120.843 120.500 -0.131 0.000 2.091 120 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 120 R C 1.499 177.695 176.300 -0.173 0.000 1.136 120 R CA 2.033 58.048 56.100 -0.141 0.000 0.959 120 R CB -0.093 30.203 30.300 -0.006 0.000 0.856 120 R HN 0.244 nan 8.270 nan 0.000 0.437 121 D N 0.422 120.683 120.400 -0.232 0.000 2.144 121 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 121 D C 1.970 178.010 176.300 -0.432 0.000 0.978 121 D CA 0.833 54.567 54.000 -0.443 0.000 0.833 121 D CB -0.044 40.226 40.800 -0.884 0.000 0.961 121 D HN 0.247 nan 8.370 nan 0.000 0.470 122 I N 0.982 121.379 120.570 -0.288 0.000 2.179 122 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 122 I C 2.573 178.583 176.117 -0.178 0.000 1.088 122 I CA 0.720 61.927 61.300 -0.155 0.000 1.357 122 I CB -1.025 36.928 38.000 -0.079 0.000 1.051 122 I HN -0.090 nan 8.210 nan 0.000 0.409 123 V N 0.176 119.920 119.914 -0.284 0.000 2.358 123 V HA -0.215 3.904 4.120 -0.000 0.000 0.246 123 V C 1.979 177.824 176.094 -0.415 0.000 1.047 123 V CA 1.712 63.757 62.300 -0.425 0.000 1.035 123 V CB -0.548 30.861 31.823 -0.689 0.000 0.658 123 V HN 0.193 nan 8.190 nan 0.000 0.452 124 F N -0.015 119.884 119.950 -0.086 0.000 2.678 124 F HA 0.591 5.118 4.527 -0.000 0.000 0.305 124 F C 1.210 176.962 175.800 -0.079 0.000 1.090 124 F CA 0.075 58.032 58.000 -0.072 0.000 1.272 124 F CB -0.175 38.783 39.000 -0.069 0.000 1.060 124 F HN 0.233 nan 8.300 nan 0.000 0.576 125 G N -0.036 108.774 108.800 0.017 0.000 2.675 125 G HA2 0.116 4.076 3.960 -0.000 0.000 0.686 125 G HA3 0.116 4.076 3.960 -0.000 0.000 0.686 125 G C 0.612 175.456 174.900 -0.092 0.000 1.215 125 G CA -0.580 44.509 45.100 -0.018 0.000 0.777 125 G HN 0.517 nan 8.290 nan 0.000 0.638 126 G N -0.667 108.076 108.800 -0.095 0.000 3.233 126 G HA2 0.371 4.331 3.960 -0.000 0.000 0.234 126 G HA3 0.371 4.331 3.960 -0.000 0.000 0.234 126 G C 0.865 175.863 174.900 0.163 0.000 1.137 126 G CA 1.222 46.277 45.100 -0.075 0.000 0.763 126 G HN 0.618 nan 8.290 nan 0.000 0.549 127 D N 1.248 121.722 120.400 0.125 0.000 2.178 127 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 127 D C 2.272 178.603 176.300 0.051 0.000 0.974 127 D CA 0.795 54.856 54.000 0.101 0.000 0.841 127 D CB 0.166 41.008 40.800 0.070 0.000 0.953 127 D HN 0.289 nan 8.370 nan 0.000 0.478 128 K N 0.532 120.952 120.400 0.033 0.000 2.103 128 K HA -0.070 4.249 4.320 -0.000 0.000 0.204 128 K C 2.056 178.667 176.600 0.018 0.000 1.052 128 K CA 0.575 56.870 56.287 0.012 0.000 0.945 128 K CB 0.099 32.597 32.500 -0.003 0.000 0.722 128 K HN 0.005 nan 8.250 nan 0.000 0.443 129 K N 1.120 121.542 120.400 0.037 0.000 2.057 129 K HA -0.144 4.175 4.320 -0.000 0.000 0.207 129 K C 2.148 178.790 176.600 0.071 0.000 1.049 129 K CA 0.836 57.157 56.287 0.056 0.000 0.931 129 K CB -0.053 32.489 32.500 0.070 0.000 0.714 129 K HN -0.018 nan 8.250 nan 0.000 0.440 130 L N 0.798 122.073 121.223 0.087 0.000 2.046 130 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 130 L C 2.291 179.122 176.870 -0.065 0.000 1.077 130 L CA 1.930 56.749 54.840 -0.035 0.000 0.747 130 L CB -0.849 41.098 42.059 -0.187 0.000 0.896 130 L HN 0.139 nan 8.230 nan 0.000 0.432 131 S N -0.937 114.740 115.700 -0.038 0.000 2.368 131 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 131 S C 2.152 176.731 174.600 -0.034 0.000 1.030 131 S CA 1.595 59.770 58.200 -0.043 0.000 0.999 131 S CB -0.293 62.891 63.200 -0.026 0.000 0.844 131 S HN 0.483 nan 8.310 nan 0.000 0.459 132 K N 1.341 121.732 120.400 -0.016 0.000 2.097 132 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 132 K C 2.074 178.669 176.600 -0.009 0.000 1.050 132 K CA 1.248 57.529 56.287 -0.009 0.000 0.938 132 K CB -0.696 31.805 32.500 0.003 0.000 0.718 132 K HN 0.490 nan 8.250 nan 0.000 0.442 133 L N 0.160 121.379 121.223 -0.007 0.000 2.046 133 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 133 L C 1.999 178.840 176.870 -0.049 0.000 1.077 133 L CA 1.500 56.335 54.840 -0.008 0.000 0.747 133 L CB -0.193 41.869 42.059 0.004 0.000 0.896 133 L HN 0.217 nan 8.230 nan 0.000 0.432 134 I N -0.012 120.509 120.570 -0.082 0.000 2.315 134 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 134 I C 2.405 178.473 176.117 -0.083 0.000 1.117 134 I CA 1.313 62.544 61.300 -0.115 0.000 1.404 134 I CB -0.290 37.632 38.000 -0.131 0.000 1.071 134 I HN 0.342 nan 8.210 nan 0.000 0.419 135 E N 0.704 120.872 120.200 -0.052 0.000 2.051 135 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 135 E C 2.052 178.638 176.600 -0.024 0.000 0.991 135 E CA 1.315 57.693 56.400 -0.037 0.000 0.799 135 E CB -0.124 29.561 29.700 -0.025 0.000 0.748 135 E HN 0.538 nan 8.360 nan 0.000 0.449 136 E N 0.626 120.820 120.200 -0.009 0.000 2.110 136 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 136 E C 2.069 178.694 176.600 0.042 0.000 0.988 136 E CA 0.916 57.325 56.400 0.016 0.000 0.804 136 E CB -0.130 29.592 29.700 0.037 0.000 0.745 136 E HN 0.232 nan 8.360 nan 0.000 0.458 137 M N 1.053 120.665 119.600 0.021 0.000 2.065 137 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 137 M C 2.224 178.556 176.300 0.054 0.000 1.069 137 M CA 1.877 57.201 55.300 0.041 0.000 1.110 137 M CB 0.052 32.527 32.600 -0.209 0.000 1.328 137 M HN -0.087 nan 8.290 nan 0.000 0.405 138 E N 0.332 120.510 120.200 -0.037 0.000 2.110 138 E HA -0.225 4.124 4.350 -0.000 0.000 0.193 138 E C 1.782 178.368 176.600 -0.024 0.000 0.988 138 E CA 1.442 57.819 56.400 -0.039 0.000 0.804 138 E CB -0.494 29.174 29.700 -0.053 0.000 0.745 138 E HN 0.547 nan 8.360 nan 0.000 0.458 139 L N -0.122 121.085 121.223 -0.027 0.000 2.083 139 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 139 L C 1.885 178.697 176.870 -0.097 0.000 1.083 139 L CA 1.685 56.498 54.840 -0.045 0.000 0.752 139 L CB -0.175 41.863 42.059 -0.036 0.000 0.899 139 L HN 0.275 nan 8.230 nan 0.000 0.433 140 L N -2.265 118.876 121.223 -0.136 0.000 2.513 140 L HA 0.101 4.441 4.340 -0.000 0.000 0.222 140 L C -0.035 176.354 176.870 -0.800 0.000 1.096 140 L CA -0.031 54.550 54.840 -0.432 0.000 0.857 140 L CB 0.130 41.924 42.059 -0.442 0.000 1.026 140 L HN 0.079 nan 8.230 nan 0.000 0.469 141 F N -0.189 119.751 119.950 -0.017 0.000 2.584 141 F HA 0.313 4.840 4.527 -0.000 0.000 0.328 141 F C -1.666 174.102 175.800 -0.053 0.000 1.407 141 F CA -1.636 56.357 58.000 -0.012 0.000 1.145 141 F CB 0.460 39.357 39.000 -0.172 0.000 1.440 141 F HN -0.170 nan 8.300 nan 0.000 0.580 142 P HA -0.079 nan 4.420 nan 0.000 0.223 142 P C 1.099 178.448 177.300 0.082 0.000 1.151 142 P CA 1.153 64.282 63.100 0.048 0.000 0.787 142 P CB 0.525 32.239 31.700 0.024 0.000 0.788 143 L N 0.216 121.545 121.223 0.176 0.000 2.612 143 L HA 0.098 4.438 4.340 -0.000 0.000 0.230 143 L C 1.024 178.056 176.870 0.269 0.000 1.140 143 L CA -0.091 54.874 54.840 0.208 0.000 0.896 143 L CB -1.129 41.066 42.059 0.228 0.000 1.065 143 L HN 0.009 nan 8.230 nan 0.000 0.447 144 T N -3.045 111.592 114.554 0.138 0.000 2.946 144 T HA 0.026 4.375 4.350 -0.000 0.000 0.311 144 T C 1.123 175.835 174.700 0.021 0.000 1.063 144 T CA -0.393 61.695 62.100 -0.020 0.000 1.139 144 T CB 1.263 69.897 68.868 -0.390 0.000 0.994 144 T HN 0.019 nan 8.240 nan 0.000 0.547 145 K N 1.489 121.914 120.400 0.042 0.000 2.314 145 K HA 0.280 4.600 4.320 -0.000 0.000 0.198 145 K C 1.102 177.688 176.600 -0.024 0.000 1.045 145 K CA 0.558 56.859 56.287 0.023 0.000 0.988 145 K CB 0.257 32.787 32.500 0.051 0.000 0.783 145 K HN 0.937 nan 8.250 nan 0.000 0.484 146 G N 0.234 108.985 108.800 -0.082 0.000 2.523 146 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 146 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 146 G C -1.623 173.146 174.900 -0.218 0.000 1.450 146 G CA -0.784 44.250 45.100 -0.110 0.000 0.790 146 G HN -0.027 nan 8.290 nan 0.000 0.496 147 I N 0.884 121.316 120.570 -0.229 0.000 2.582 147 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 147 I C 0.148 176.090 176.117 -0.293 0.000 1.066 147 I CA -0.841 60.265 61.300 -0.323 0.000 1.053 147 I CB 2.788 40.596 38.000 -0.319 0.000 1.241 147 I HN 0.692 nan 8.210 nan 0.000 0.421 148 T N 3.537 117.908 114.554 -0.304 0.000 2.912 148 T HA 0.745 5.095 4.350 -0.000 0.000 0.288 148 T C -0.585 173.940 174.700 -0.290 0.000 1.030 148 T CA -0.664 61.241 62.100 -0.324 0.000 1.020 148 T CB 1.708 70.342 68.868 -0.391 0.000 1.056 148 T HN 0.343 nan 8.240 nan 0.000 0.480 149 I N 2.829 123.198 120.570 -0.335 0.000 2.359 149 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 149 I C -0.033 175.962 176.117 -0.203 0.000 1.018 149 I CA -0.783 60.365 61.300 -0.253 0.000 1.173 149 I CB 1.448 39.275 38.000 -0.290 0.000 1.326 149 I HN 0.462 nan 8.210 nan 0.000 0.462 150 Q N 5.044 124.788 119.800 -0.093 0.000 2.421 150 Q HA 0.327 4.666 4.340 -0.000 0.000 0.242 150 Q C -0.331 175.726 176.000 0.094 0.000 1.024 150 Q CA -0.282 55.504 55.803 -0.029 0.000 0.891 150 Q CB 1.448 30.178 28.738 -0.013 0.000 1.222 150 Q HN 0.525 nan 8.270 nan 0.000 0.483 151 S N 2.609 118.332 115.700 0.039 0.000 2.533 151 S HA 0.093 4.563 4.470 -0.000 0.000 0.282 151 S C 0.372 174.968 174.600 -0.006 0.000 1.304 151 S CA -0.189 58.022 58.200 0.019 0.000 1.063 151 S CB 0.796 63.990 63.200 -0.009 0.000 0.881 151 S HN 0.381 nan 8.310 nan 0.000 0.493 152 E N 0.994 121.104 120.200 -0.150 0.000 2.292 152 E HA 0.215 4.564 4.350 -0.000 0.000 0.258 152 E C 0.837 177.347 176.600 -0.151 0.000 1.115 152 E CA -0.862 55.394 56.400 -0.241 0.000 0.929 152 E CB 0.397 29.856 29.700 -0.403 0.000 1.161 152 E HN 0.585 nan 8.360 nan 0.000 0.453 153 C N 1.214 120.464 119.300 -0.084 0.000 2.363 153 C HA -0.160 4.300 4.460 -0.000 0.000 0.274 153 C C -0.412 174.677 174.990 0.165 0.000 1.183 153 C CA 1.095 60.189 59.018 0.126 0.000 1.771 153 C CB -1.620 26.206 27.740 0.144 0.000 2.059 153 C HN 0.717 nan 8.230 nan 0.000 0.455 154 P HA -0.051 nan 4.420 nan 0.000 0.218 154 P C 1.632 178.997 177.300 0.109 0.000 1.148 154 P CA 1.266 64.409 63.100 0.071 0.000 0.822 154 P CB -0.206 31.546 31.700 0.086 0.000 0.784 155 V N 0.118 120.058 119.914 0.044 0.000 2.252 155 V HA -0.224 3.895 4.120 -0.000 0.000 0.249 155 V C 2.581 178.753 176.094 0.130 0.000 1.056 155 V CA 2.621 64.969 62.300 0.080 0.000 1.022 155 V CB -1.928 29.885 31.823 -0.016 0.000 0.641 155 V HN 0.186 nan 8.190 nan 0.000 0.445 156 G N -0.711 108.189 108.800 0.167 0.000 2.430 156 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.216 156 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.216 156 G C 1.554 176.543 174.900 0.147 0.000 1.146 156 G CA 0.423 45.633 45.100 0.183 0.000 0.793 156 G HN 0.464 nan 8.290 nan 0.000 0.537 157 L N 0.869 122.169 121.223 0.128 0.000 2.191 157 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 157 L C 2.524 179.401 176.870 0.013 0.000 1.103 157 L CA 0.894 55.733 54.840 -0.002 0.000 0.769 157 L CB -0.329 41.687 42.059 -0.071 0.000 0.908 157 L HN 0.426 nan 8.230 nan 0.000 0.438 158 I N -3.711 116.889 120.570 0.050 0.000 3.883 158 I HA 0.358 4.528 4.170 -0.000 0.000 0.326 158 I C 1.211 177.354 176.117 0.043 0.000 1.283 158 I CA 0.466 61.787 61.300 0.036 0.000 1.161 158 I CB -0.185 37.840 38.000 0.043 0.000 1.012 158 I HN 0.195 nan 8.210 nan 0.000 0.421 159 G N 1.548 110.382 108.800 0.056 0.000 2.147 159 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 159 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 159 G C -0.310 174.631 174.900 0.069 0.000 1.005 159 G CA 0.191 45.325 45.100 0.056 0.000 0.713 159 G HN 0.507 nan 8.290 nan 0.000 0.515 160 D N 0.143 120.598 120.400 0.092 0.000 2.357 160 D HA 0.426 5.065 4.640 -0.000 0.000 0.242 160 D C 0.068 176.424 176.300 0.093 0.000 1.153 160 D CA 0.141 54.205 54.000 0.106 0.000 0.918 160 D CB 0.927 41.825 40.800 0.165 0.000 1.181 160 D HN 0.135 nan 8.370 nan 0.000 0.435 161 D N 0.951 121.401 120.400 0.083 0.000 2.434 161 D HA 0.118 4.758 4.640 -0.000 0.000 0.275 161 D C 1.112 177.444 176.300 0.054 0.000 1.172 161 D CA -0.473 53.566 54.000 0.064 0.000 0.916 161 D CB -0.082 40.750 40.800 0.053 0.000 1.041 161 D HN 0.395 nan 8.370 nan 0.000 0.501 162 I N -0.531 120.068 120.570 0.049 0.000 2.830 162 I HA -0.043 4.126 4.170 -0.000 0.000 0.263 162 I C 1.267 177.357 176.117 -0.044 0.000 1.230 162 I CA 0.314 61.612 61.300 -0.002 0.000 1.480 162 I CB 0.050 38.039 38.000 -0.018 0.000 1.095 162 I HN -0.027 nan 8.210 nan 0.000 0.455 163 S N 1.795 117.492 115.700 -0.004 0.000 2.387 163 S HA 0.047 4.516 4.470 -0.000 0.000 0.226 163 S C 2.341 176.991 174.600 0.083 0.000 1.026 163 S CA 1.154 59.379 58.200 0.041 0.000 0.972 163 S CB -0.307 62.974 63.200 0.136 0.000 0.814 163 S HN 0.677 nan 8.310 nan 0.000 0.477 164 A N 1.465 124.322 122.820 0.061 0.000 1.877 164 A HA -0.053 4.266 4.320 -0.000 0.000 0.216 164 A C 2.336 179.939 177.584 0.032 0.000 1.186 164 A CA 1.578 53.647 52.037 0.054 0.000 0.620 164 A CB -0.973 18.052 19.000 0.042 0.000 0.822 164 A HN 0.337 nan 8.150 nan 0.000 0.443 165 V N -0.093 119.825 119.914 0.007 0.000 2.343 165 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 165 V C 3.054 179.126 176.094 -0.035 0.000 1.051 165 V CA 1.948 64.236 62.300 -0.020 0.000 1.036 165 V CB -1.337 30.459 31.823 -0.045 0.000 0.654 165 V HN 0.618 nan 8.190 nan 0.000 0.451 166 A N 0.365 123.150 122.820 -0.058 0.000 1.902 166 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 166 A C 2.046 179.651 177.584 0.036 0.000 1.181 166 A CA 2.398 54.385 52.037 -0.083 0.000 0.623 166 A CB -0.899 17.957 19.000 -0.239 0.000 0.818 166 A HN 0.688 nan 8.150 nan 0.000 0.443 167 N N -0.091 118.678 118.700 0.116 0.000 2.120 167 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 167 N C 1.908 177.459 175.510 0.068 0.000 1.024 167 N CA 1.199 54.334 53.050 0.143 0.000 0.852 167 N CB -0.237 38.336 38.487 0.144 0.000 1.003 167 N HN 0.506 nan 8.380 nan 0.000 0.424 168 A N 0.205 123.047 122.820 0.037 0.000 1.897 168 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 168 A C 2.272 179.858 177.584 0.003 0.000 1.181 168 A CA 1.266 53.313 52.037 0.016 0.000 0.620 168 A CB -0.470 18.535 19.000 0.008 0.000 0.821 168 A HN 0.170 nan 8.150 nan 0.000 0.443 169 S N -0.427 115.266 115.700 -0.012 0.000 2.402 169 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 169 S C 2.277 176.864 174.600 -0.022 0.000 1.021 169 S CA 1.284 59.466 58.200 -0.030 0.000 0.974 169 S CB -0.276 62.886 63.200 -0.063 0.000 0.800 169 S HN 0.671 nan 8.310 nan 0.000 0.484 170 S N 1.320 117.020 115.700 0.001 0.000 2.368 170 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 170 S C 1.925 176.534 174.600 0.016 0.000 1.030 170 S CA 1.046 59.256 58.200 0.017 0.000 0.999 170 S CB -0.177 63.066 63.200 0.072 0.000 0.844 170 S HN 0.287 nan 8.310 nan 0.000 0.459 171 K N 1.307 121.719 120.400 0.020 0.000 2.057 171 K HA 0.048 4.368 4.320 -0.000 0.000 0.207 171 K C 2.386 178.988 176.600 0.003 0.000 1.049 171 K CA 1.226 57.521 56.287 0.013 0.000 0.931 171 K CB -0.944 31.564 32.500 0.014 0.000 0.714 171 K HN 0.461 nan 8.250 nan 0.000 0.440 172 A N 1.283 124.101 122.820 -0.003 0.000 1.902 172 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 172 A C 2.211 179.787 177.584 -0.014 0.000 1.181 172 A CA 1.243 53.274 52.037 -0.010 0.000 0.623 172 A CB -0.459 18.532 19.000 -0.016 0.000 0.818 172 A HN 0.189 nan 8.150 nan 0.000 0.443 173 L N -1.894 119.317 121.223 -0.019 0.000 2.416 173 L HA 0.044 4.384 4.340 -0.000 0.000 0.216 173 L C 0.402 177.264 176.870 -0.013 0.000 1.098 173 L CA 0.487 55.313 54.840 -0.023 0.000 0.840 173 L CB -0.103 41.931 42.059 -0.042 0.000 0.981 173 L HN 0.352 nan 8.230 nan 0.000 0.462 174 D N 1.483 121.880 120.400 -0.005 0.000 2.746 174 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 174 D C -0.081 176.221 176.300 0.004 0.000 1.129 174 D CA 0.950 54.952 54.000 0.004 0.000 0.691 174 D CB -0.514 40.289 40.800 0.005 0.000 1.077 174 D HN 0.315 nan 8.370 nan 0.000 0.432 175 K N -0.491 119.908 120.400 -0.001 0.000 2.512 175 K HA 0.515 4.835 4.320 -0.000 0.000 0.263 175 K C -2.745 173.857 176.600 0.002 0.000 0.966 175 K CA -1.881 54.403 56.287 -0.005 0.000 0.851 175 K CB 2.211 34.692 32.500 -0.032 0.000 1.395 175 K HN -0.213 nan 8.250 nan 0.000 0.440 176 P HA 0.062 nan 4.420 nan 0.000 0.267 176 P C -1.094 176.194 177.300 -0.020 0.000 1.209 176 P CA -0.271 62.853 63.100 0.039 0.000 0.763 176 P CB 0.530 32.264 31.700 0.057 0.000 0.816 177 V N 6.047 125.950 119.914 -0.019 0.000 2.409 177 V HA 0.358 4.478 4.120 -0.000 0.000 0.290 177 V C 0.121 176.084 176.094 -0.219 0.000 1.017 177 V CA -0.328 61.897 62.300 -0.125 0.000 0.841 177 V CB 1.279 33.032 31.823 -0.116 0.000 1.003 177 V HN 0.407 nan 8.190 nan 0.000 0.426 178 I N 7.852 128.211 120.570 -0.351 0.000 2.354 178 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 178 I C -2.344 173.328 176.117 -0.742 0.000 1.007 178 I CA -1.950 58.970 61.300 -0.633 0.000 1.167 178 I CB 2.532 40.288 38.000 -0.407 0.000 1.320 178 I HN 0.387 nan 8.210 nan 0.000 0.458 179 P HA 0.216 nan 4.420 nan 0.000 0.286 179 P C -0.831 176.149 177.300 -0.533 0.000 1.269 179 P CA -0.229 62.493 63.100 -0.630 0.000 0.787 179 P CB 1.747 33.120 31.700 -0.544 0.000 0.920 180 V N 5.547 125.246 119.914 -0.359 0.000 2.483 180 V HA 0.365 4.484 4.120 -0.000 0.000 0.297 180 V C 0.784 176.793 176.094 -0.142 0.000 1.027 180 V CA -0.658 61.491 62.300 -0.251 0.000 0.855 180 V CB 1.689 33.335 31.823 -0.296 0.000 0.995 180 V HN 0.401 nan 8.190 nan 0.000 0.424 181 R N 2.948 123.387 120.500 -0.102 0.000 4.071 181 R HA 0.253 4.592 4.340 -0.000 0.000 0.220 181 R C 0.347 176.581 176.300 -0.110 0.000 1.614 181 R CA -0.231 55.820 56.100 -0.082 0.000 1.505 181 R CB -0.033 30.234 30.300 -0.055 0.000 1.384 181 R HN 0.901 nan 8.270 nan 0.000 0.758 182 C N -0.904 118.337 119.300 -0.099 0.000 2.422 182 C HA 0.324 4.784 4.460 -0.000 0.000 0.301 182 C C 0.034 174.953 174.990 -0.120 0.000 1.444 182 C CA -1.295 57.662 59.018 -0.102 0.000 1.771 182 C CB -1.312 26.399 27.740 -0.048 0.000 2.834 182 C HN 0.453 nan 8.230 nan 0.000 0.545 183 E N 0.965 121.013 120.200 -0.253 0.000 2.452 183 E HA 0.345 4.695 4.350 -0.000 0.000 0.261 183 E C 1.519 177.855 176.600 -0.441 0.000 0.987 183 E CA 0.936 57.108 56.400 -0.380 0.000 0.926 183 E CB 0.552 29.846 29.700 -0.677 0.000 0.934 183 E HN 0.603 nan 8.360 nan 0.000 0.452 184 G N 2.320 110.990 108.800 -0.217 0.000 2.471 184 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 184 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 184 G C 1.083 175.932 174.900 -0.085 0.000 1.125 184 G CA 0.623 45.660 45.100 -0.106 0.000 0.775 184 G HN 0.650 nan 8.290 nan 0.000 0.548 185 F N 0.887 120.832 119.950 -0.009 0.000 2.451 185 F HA 0.320 4.847 4.527 0.000 0.000 0.299 185 F C 1.205 177.002 175.800 -0.006 0.000 1.101 185 F CA -0.738 57.257 58.000 -0.008 0.000 1.436 185 F CB -0.281 38.713 39.000 -0.011 0.000 1.074 185 F HN -0.128 nan 8.300 nan 0.000 0.553 186 R N 1.432 121.696 120.500 -0.393 0.000 2.490 186 R HA 0.444 4.784 4.340 -0.000 0.000 0.280 186 R C 0.976 177.223 176.300 -0.087 0.000 1.077 186 R CA 0.304 56.282 56.100 -0.203 0.000 1.065 186 R CB 0.316 30.418 30.300 -0.330 0.000 1.003 186 R HN 0.512 nan 8.270 nan 0.000 0.470 187 G N 0.405 109.188 108.800 -0.028 0.000 2.601 187 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 187 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 187 G C 0.343 175.248 174.900 0.009 0.000 1.294 187 G CA -0.074 45.015 45.100 -0.018 0.000 0.912 187 G HN 0.753 nan 8.290 nan 0.000 0.574 188 V N -3.589 116.332 119.914 0.011 0.000 3.382 188 V HA 0.712 4.832 4.120 -0.000 0.000 0.296 188 V C 0.629 176.752 176.094 0.050 0.000 1.529 188 V CA 1.635 63.960 62.300 0.042 0.000 1.048 188 V CB -0.245 31.615 31.823 0.062 0.000 0.878 188 V HN 2.625 nan 8.190 nan 0.000 0.442 189 S N -0.968 114.731 115.700 -0.002 0.000 2.671 189 S HA 0.318 4.787 4.470 -0.000 0.000 0.270 189 S C 0.171 174.647 174.600 -0.208 0.000 1.166 189 S CA 0.032 58.213 58.200 -0.032 0.000 0.868 189 S CB 1.362 64.607 63.200 0.076 0.000 1.190 189 S HN 0.029 nan 8.310 nan 0.000 0.494 190 Q N 1.077 120.624 119.800 -0.422 0.000 2.181 190 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 190 Q C 2.183 177.645 176.000 -0.897 0.000 0.980 190 Q CA 1.909 57.310 55.803 -0.670 0.000 0.862 190 Q CB -0.553 27.617 28.738 -0.947 0.000 0.905 190 Q HN 0.659 nan 8.270 nan 0.000 0.429 191 S N 0.069 115.253 115.700 -0.860 0.000 2.365 191 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 191 S C 1.694 176.120 174.600 -0.290 0.000 1.039 191 S CA 1.230 59.085 58.200 -0.575 0.000 1.033 191 S CB -0.273 62.984 63.200 0.094 0.000 0.887 191 S HN 0.397 nan 8.310 nan 0.000 0.447 192 L N 1.516 122.642 121.223 -0.161 0.000 2.201 192 L HA 0.131 4.471 4.340 -0.000 0.000 0.212 192 L C 2.265 179.055 176.870 -0.135 0.000 1.105 192 L CA 1.704 56.490 54.840 -0.090 0.000 0.775 192 L CB -1.150 40.863 42.059 -0.075 0.000 0.913 192 L HN 0.399 nan 8.230 nan 0.000 0.440 193 G N -1.503 107.171 108.800 -0.209 0.000 2.446 193 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 193 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 193 G C 1.331 176.192 174.900 -0.064 0.000 1.168 193 G CA 1.193 46.201 45.100 -0.154 0.000 0.771 193 G HN 0.605 nan 8.290 nan 0.000 0.551 194 H N -1.271 117.733 119.070 -0.110 0.000 2.290 194 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 194 H C 2.311 177.574 175.328 -0.109 0.000 1.087 194 H CA 1.418 57.419 56.048 -0.077 0.000 1.291 194 H CB -0.258 29.512 29.762 0.013 0.000 1.369 194 H HN 0.539 nan 8.280 nan 0.000 0.492 195 H N 0.454 119.384 119.070 -0.234 0.000 2.321 195 H HA -0.119 4.436 4.556 -0.000 0.000 0.300 195 H C 2.313 177.423 175.328 -0.364 0.000 1.087 195 H CA 1.243 56.872 56.048 -0.699 0.000 1.319 195 H CB 0.067 29.397 29.762 -0.720 0.000 1.379 195 H HN 0.204 nan 8.280 nan 0.000 0.501 196 I N 0.721 121.231 120.570 -0.100 0.000 2.151 196 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 196 I C 2.841 178.968 176.117 0.017 0.000 1.080 196 I CA 1.206 62.458 61.300 -0.081 0.000 1.339 196 I CB -0.402 37.553 38.000 -0.076 0.000 1.039 196 I HN 0.404 nan 8.210 nan 0.000 0.409 197 A N 0.515 123.364 122.820 0.049 0.000 1.902 197 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 197 A C 2.100 179.699 177.584 0.024 0.000 1.181 197 A CA 1.893 53.994 52.037 0.105 0.000 0.623 197 A CB -0.881 18.060 19.000 -0.099 0.000 0.818 197 A HN 0.500 nan 8.150 nan 0.000 0.443 198 N N -0.085 118.619 118.700 0.007 0.000 2.120 198 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 198 N C 0.995 176.545 175.510 0.066 0.000 1.024 198 N CA 1.524 54.606 53.050 0.054 0.000 0.852 198 N CB -0.278 38.260 38.487 0.085 0.000 1.003 198 N HN 0.406 nan 8.380 nan 0.000 0.424 199 D N 0.806 121.234 120.400 0.048 0.000 2.117 199 D HA -0.090 4.549 4.640 -0.000 0.000 0.197 199 D C 2.117 178.484 176.300 0.113 0.000 0.987 199 D CA 0.538 54.560 54.000 0.036 0.000 0.829 199 D CB -0.371 40.422 40.800 -0.013 0.000 0.961 199 D HN 0.016 nan 8.370 nan 0.000 0.460 200 V N 0.491 120.512 119.914 0.178 0.000 2.343 200 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 200 V C 2.618 178.925 176.094 0.355 0.000 1.051 200 V CA 1.027 63.513 62.300 0.309 0.000 1.036 200 V CB -0.434 31.534 31.823 0.242 0.000 0.654 200 V HN 0.074 nan 8.190 nan 0.000 0.451 201 V N 0.058 120.131 119.914 0.265 0.000 2.343 201 V HA -0.286 3.833 4.120 -0.000 0.000 0.247 201 V C 2.585 178.792 176.094 0.189 0.000 1.051 201 V CA 2.400 64.832 62.300 0.220 0.000 1.036 201 V CB -0.825 31.079 31.823 0.135 0.000 0.654 201 V HN 0.521 nan 8.190 nan 0.000 0.451 202 R N -0.042 120.526 120.500 0.113 0.000 2.091 202 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 202 R C 1.799 178.102 176.300 0.005 0.000 1.136 202 R CA 2.237 58.322 56.100 -0.027 0.000 0.959 202 R CB -0.190 29.959 30.300 -0.250 0.000 0.856 202 R HN 0.512 nan 8.270 nan 0.000 0.437 203 D N -1.756 118.681 120.400 0.061 0.000 2.277 203 D HA -0.038 4.602 4.640 -0.000 0.000 0.209 203 D C 1.057 177.268 176.300 -0.149 0.000 0.970 203 D CA 0.808 54.768 54.000 -0.067 0.000 0.874 203 D CB -0.021 40.727 40.800 -0.085 0.000 0.982 203 D HN 0.318 nan 8.370 nan 0.000 0.504 204 W N -0.062 121.253 121.300 0.025 0.000 2.993 204 W HA 0.411 5.071 4.660 -0.001 0.000 0.290 204 W C 1.829 178.364 176.519 0.026 0.000 1.203 204 W CA -0.202 57.155 57.345 0.021 0.000 1.582 204 W CB 0.473 29.941 29.460 0.013 0.000 1.033 204 W HN -0.148 nan 8.180 nan 0.000 0.594 205 I N -1.557 119.149 120.570 0.228 0.000 3.673 205 I HA -0.031 4.139 4.170 -0.000 0.000 0.281 205 I C 1.845 178.017 176.117 0.091 0.000 1.182 205 I CA 0.104 61.487 61.300 0.138 0.000 1.391 205 I CB -0.250 37.811 38.000 0.101 0.000 1.383 205 I HN -0.259 nan 8.210 nan 0.000 0.456 206 L N 1.420 122.713 121.223 0.117 0.000 2.201 206 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 206 L C 1.584 178.487 176.870 0.055 0.000 1.105 206 L CA 1.751 56.657 54.840 0.110 0.000 0.775 206 L CB -0.662 41.520 42.059 0.205 0.000 0.913 206 L HN 0.241 nan 8.230 nan 0.000 0.440 207 N N -0.681 118.059 118.700 0.067 0.000 2.322 207 N HA -0.009 4.730 4.740 -0.000 0.000 0.194 207 N C 0.943 176.469 175.510 0.026 0.000 1.126 207 N CA 0.103 53.183 53.050 0.050 0.000 0.845 207 N CB -0.211 38.305 38.487 0.049 0.000 0.976 207 N HN 0.326 nan 8.380 nan 0.000 0.475 208 N N 1.005 119.721 118.700 0.026 0.000 2.381 208 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 208 N C 0.698 176.239 175.510 0.053 0.000 1.025 208 N CA 0.708 53.781 53.050 0.038 0.000 0.888 208 N CB 0.161 38.677 38.487 0.048 0.000 0.965 208 N HN 0.304 nan 8.380 nan 0.000 0.438 209 R N 0.415 120.946 120.500 0.051 0.000 2.662 209 R HA 0.165 4.505 4.340 -0.000 0.000 0.396 209 R C -0.308 176.088 176.300 0.160 0.000 1.096 209 R CA -0.222 55.954 56.100 0.127 0.000 1.081 209 R CB 0.640 31.065 30.300 0.209 0.000 1.382 209 R HN 0.227 nan 8.270 nan 0.000 0.580 210 E N 0.499 120.744 120.200 0.076 0.000 2.415 210 E HA 0.033 4.383 4.350 -0.000 0.000 0.263 210 E C 0.718 177.404 176.600 0.143 0.000 0.995 210 E CA 0.991 57.445 56.400 0.090 0.000 0.915 210 E CB 0.416 30.156 29.700 0.067 0.000 0.951 210 E HN 0.470 nan 8.360 nan 0.000 0.449 211 G N 2.601 111.517 108.800 0.193 0.000 2.176 211 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 211 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 211 G C 0.075 175.077 174.900 0.170 0.000 0.979 211 G CA 0.380 45.578 45.100 0.163 0.000 0.641 211 G HN 0.563 nan 8.290 nan 0.000 0.530 212 Q N 0.462 120.405 119.800 0.238 0.000 2.227 212 Q HA 0.606 4.946 4.340 -0.000 0.000 0.245 212 Q C -1.955 174.092 176.000 0.077 0.000 0.926 212 Q CA -1.010 54.892 55.803 0.165 0.000 0.895 212 Q CB 1.278 30.131 28.738 0.190 0.000 1.230 212 Q HN 0.443 nan 8.270 nan 0.000 0.450 213 P HA 0.410 nan 4.420 nan 0.000 0.269 213 P C -1.080 176.139 177.300 -0.135 0.000 1.209 213 P CA -0.168 62.896 63.100 -0.060 0.000 0.776 213 P CB 0.243 31.921 31.700 -0.037 0.000 0.876 214 F N -0.841 118.845 119.950 -0.439 0.000 2.639 214 F HA 0.406 4.933 4.527 -0.000 0.000 0.326 214 F C -0.539 175.068 175.800 -0.321 0.000 1.150 214 F CA -0.481 57.203 58.000 -0.527 0.000 1.057 214 F CB 0.883 39.147 39.000 -1.227 0.000 1.300 214 F HN 0.322 nan 8.300 nan 0.000 0.486 215 E N 3.079 122.795 120.200 -0.807 0.000 2.166 215 E HA 0.503 4.853 4.350 -0.000 0.000 0.279 215 E C -0.003 176.276 176.600 -0.536 0.000 1.095 215 E CA 0.064 56.143 56.400 -0.535 0.000 0.888 215 E CB 0.113 29.555 29.700 -0.431 0.000 1.041 215 E HN 0.709 nan 8.360 nan 0.000 0.414 216 T N -0.905 113.547 114.554 -0.170 0.000 2.912 216 T HA 0.743 5.093 4.350 -0.000 0.000 0.280 216 T C 0.619 175.306 174.700 -0.020 0.000 0.989 216 T CA 0.047 62.157 62.100 0.018 0.000 0.995 216 T CB 1.589 70.523 68.868 0.110 0.000 1.077 216 T HN 0.835 nan 8.240 nan 0.000 0.531 217 T N -2.268 112.299 114.554 0.021 0.000 2.907 217 T HA 0.593 4.943 4.350 -0.000 0.000 0.290 217 T C -2.417 172.230 174.700 -0.088 0.000 1.066 217 T CA -2.024 60.051 62.100 -0.042 0.000 1.012 217 T CB 1.434 70.293 68.868 -0.015 0.000 1.184 217 T HN 0.312 nan 8.240 nan 0.000 0.522 218 P HA 0.133 nan 4.420 nan 0.000 0.233 218 P C -0.219 176.887 177.300 -0.325 0.000 1.167 218 P CA 0.515 63.375 63.100 -0.399 0.000 0.770 218 P CB -0.159 31.105 31.700 -0.726 0.000 0.837 219 Y N -1.070 119.246 120.300 0.027 0.000 2.720 219 Y HA 0.254 4.804 4.550 -0.000 0.000 0.268 219 Y C 0.162 176.022 175.900 -0.067 0.000 1.142 219 Y CA -1.561 56.423 58.100 -0.194 0.000 1.193 219 Y CB -0.709 37.554 38.460 -0.329 0.000 1.176 219 Y HN -0.151 nan 8.280 nan 0.000 0.542 220 D N 1.490 121.999 120.400 0.182 0.000 2.348 220 D HA 0.359 4.999 4.640 -0.000 0.000 0.253 220 D C 0.202 176.627 176.300 0.208 0.000 1.161 220 D CA 0.349 54.461 54.000 0.185 0.000 0.876 220 D CB 1.697 42.624 40.800 0.211 0.000 1.160 220 D HN 0.124 nan 8.370 nan 0.000 0.459 221 V N -1.192 118.815 119.914 0.155 0.000 3.160 221 V HA 0.959 5.078 4.120 -0.000 0.000 0.310 221 V C -0.909 175.231 176.094 0.077 0.000 1.181 221 V CA -1.191 61.187 62.300 0.129 0.000 1.047 221 V CB 1.821 33.715 31.823 0.118 0.000 1.068 221 V HN 0.527 nan 8.190 nan 0.000 0.441 222 A N 1.909 124.743 122.820 0.022 0.000 2.386 222 A HA 0.870 5.190 4.320 -0.000 0.000 0.311 222 A C -0.661 176.895 177.584 -0.047 0.000 1.068 222 A CA -0.769 51.266 52.037 -0.004 0.000 0.743 222 A CB 1.197 20.142 19.000 -0.092 0.000 1.258 222 A HN 0.932 nan 8.150 nan 0.000 0.429 223 I N 3.442 124.010 120.570 -0.003 0.000 2.322 223 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 223 I C -0.604 175.491 176.117 -0.037 0.000 1.060 223 I CA -0.086 61.211 61.300 -0.005 0.000 1.309 223 I CB 0.464 38.477 38.000 0.021 0.000 1.415 223 I HN 0.372 nan 8.210 nan 0.000 0.492 224 I N 6.058 126.576 120.570 -0.087 0.000 2.328 224 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 224 I C 0.934 176.977 176.117 -0.124 0.000 1.012 224 I CA -0.250 60.928 61.300 -0.203 0.000 1.195 224 I CB 0.598 38.391 38.000 -0.345 0.000 1.350 224 I HN 0.873 nan 8.210 nan 0.000 0.464 225 G N 4.598 113.281 108.800 -0.195 0.000 2.207 225 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 225 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 225 G C -0.388 174.315 174.900 -0.328 0.000 1.053 225 G CA -0.394 44.534 45.100 -0.287 0.000 0.764 225 G HN 0.623 nan 8.290 nan 0.000 0.495 226 D N -0.646 119.470 120.400 -0.474 0.000 2.549 226 D HA 0.502 5.142 4.640 -0.000 0.000 0.251 226 D C 0.328 176.351 176.300 -0.461 0.000 1.153 226 D CA -0.787 53.062 54.000 -0.251 0.000 0.861 226 D CB 0.823 41.580 40.800 -0.073 0.000 1.207 226 D HN 0.115 nan 8.370 nan 0.000 0.543 227 Y N 2.528 122.820 120.300 -0.013 0.000 2.532 227 Y HA 0.161 4.711 4.550 -0.000 0.000 0.283 227 Y C 1.098 176.921 175.900 -0.129 0.000 1.181 227 Y CA -0.494 57.569 58.100 -0.062 0.000 1.256 227 Y CB -0.300 38.124 38.460 -0.060 0.000 1.112 227 Y HN 0.409 nan 8.280 nan 0.000 0.521 228 N N 0.824 119.448 118.700 -0.126 0.000 2.740 228 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 228 N C -1.024 174.320 175.510 -0.276 0.000 1.062 228 N CA 0.176 53.058 53.050 -0.280 0.000 0.704 228 N CB -1.021 37.211 38.487 -0.424 0.000 0.968 228 N HN 0.117 nan 8.380 nan 0.000 0.547 229 I N 0.517 120.947 120.570 -0.233 0.000 2.581 229 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 229 I C 1.951 177.862 176.117 -0.343 0.000 1.129 229 I CA 1.218 62.326 61.300 -0.319 0.000 1.397 229 I CB -0.446 37.286 38.000 -0.447 0.000 1.399 229 I HN 0.512 nan 8.210 nan 0.000 0.537 230 G N 5.240 113.599 108.800 -0.735 0.000 2.258 230 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.274 230 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.274 230 G C 0.996 175.645 174.900 -0.420 0.000 1.021 230 G CA 0.750 45.340 45.100 -0.849 0.000 0.798 230 G HN 1.696 nan 8.290 nan 0.000 0.507 231 G N -1.271 107.301 108.800 -0.380 0.000 2.149 231 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 231 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 231 G C 0.746 175.601 174.900 -0.075 0.000 1.018 231 G CA 0.931 45.954 45.100 -0.128 0.000 0.728 231 G HN 0.556 nan 8.290 nan 0.000 0.508 232 D N 0.365 120.652 120.400 -0.188 0.000 2.123 232 D HA -0.015 4.624 4.640 -0.000 0.000 0.196 232 D C 2.629 178.870 176.300 -0.098 0.000 0.992 232 D CA 1.804 55.664 54.000 -0.233 0.000 0.833 232 D CB -0.370 40.032 40.800 -0.664 0.000 0.954 232 D HN 0.740 nan 8.370 nan 0.000 0.455 233 A N 0.324 123.042 122.820 -0.170 0.000 1.968 233 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 233 A C 1.986 179.617 177.584 0.078 0.000 1.169 233 A CA 0.620 52.620 52.037 -0.062 0.000 0.638 233 A CB -0.815 18.092 19.000 -0.155 0.000 0.812 233 A HN 0.230 nan 8.150 nan 0.000 0.446 234 W N -0.160 121.194 121.300 0.091 0.000 2.363 234 W HA -0.027 4.632 4.660 -0.000 0.000 0.296 234 W C 2.576 179.152 176.519 0.096 0.000 1.212 234 W CA 0.780 58.183 57.345 0.097 0.000 1.260 234 W CB -1.147 28.375 29.460 0.105 0.000 1.131 234 W HN 0.431 nan 8.180 nan 0.000 0.530 235 A N -0.468 122.534 122.820 0.303 0.000 2.168 235 A HA -0.038 4.281 4.320 -0.000 0.000 0.215 235 A C 2.090 179.778 177.584 0.173 0.000 1.152 235 A CA 1.745 53.904 52.037 0.204 0.000 0.716 235 A CB -0.428 18.667 19.000 0.157 0.000 0.794 235 A HN 0.154 nan 8.150 nan 0.000 0.465 236 S N -1.197 114.646 115.700 0.238 0.000 2.452 236 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 236 S C 1.981 176.753 174.600 0.287 0.000 1.057 236 S CA 0.413 58.833 58.200 0.366 0.000 0.949 236 S CB -0.250 63.117 63.200 0.278 0.000 0.836 236 S HN 0.663 nan 8.310 nan 0.000 0.518 237 R N 1.291 121.917 120.500 0.209 0.000 2.103 237 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 237 R C 2.251 178.647 176.300 0.159 0.000 1.142 237 R CA 1.413 57.616 56.100 0.173 0.000 0.960 237 R CB -0.500 29.932 30.300 0.220 0.000 0.858 237 R HN 0.428 nan 8.270 nan 0.000 0.439 238 I N 0.857 121.529 120.570 0.170 0.000 2.208 238 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 238 I C 1.850 178.041 176.117 0.124 0.000 1.097 238 I CA 1.356 62.741 61.300 0.141 0.000 1.363 238 I CB 0.042 38.133 38.000 0.152 0.000 1.051 238 I HN 0.270 nan 8.210 nan 0.000 0.413 239 L N -0.032 121.255 121.223 0.105 0.000 2.056 239 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 239 L C 2.493 179.419 176.870 0.092 0.000 1.078 239 L CA 1.131 56.009 54.840 0.064 0.000 0.749 239 L CB -0.666 41.333 42.059 -0.100 0.000 0.901 239 L HN 0.288 nan 8.230 nan 0.000 0.433 240 L N -0.438 120.856 121.223 0.118 0.000 2.046 240 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 240 L C 2.594 179.476 176.870 0.019 0.000 1.077 240 L CA 1.268 56.139 54.840 0.053 0.000 0.747 240 L CB -0.566 41.506 42.059 0.020 0.000 0.896 240 L HN 0.314 nan 8.230 nan 0.000 0.432 241 E N 0.113 120.340 120.200 0.044 0.000 2.152 241 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 241 E C 1.942 178.556 176.600 0.023 0.000 0.983 241 E CA 0.815 57.234 56.400 0.031 0.000 0.818 241 E CB -0.022 29.711 29.700 0.055 0.000 0.758 241 E HN 0.568 nan 8.360 nan 0.000 0.467 242 E N 0.482 120.714 120.200 0.052 0.000 2.204 242 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 242 E C 1.770 178.382 176.600 0.019 0.000 0.989 242 E CA 0.498 56.932 56.400 0.057 0.000 0.824 242 E CB -0.011 29.765 29.700 0.126 0.000 0.756 242 E HN 0.145 nan 8.360 nan 0.000 0.477 243 M N -0.538 119.060 119.600 -0.003 0.000 2.628 243 M HA 0.058 4.538 4.480 -0.000 0.000 0.232 243 M C 0.622 176.831 176.300 -0.151 0.000 1.128 243 M CA 0.682 55.949 55.300 -0.055 0.000 1.040 243 M CB 0.497 33.075 32.600 -0.037 0.000 1.608 243 M HN 0.235 nan 8.290 nan 0.000 0.507 244 G N 0.986 109.700 108.800 -0.143 0.000 2.141 244 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 244 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 244 G C -0.139 174.605 174.900 -0.260 0.000 0.982 244 G CA -0.072 44.899 45.100 -0.215 0.000 0.662 244 G HN 0.446 nan 8.290 nan 0.000 0.527 245 L N -0.534 120.575 121.223 -0.191 0.000 2.375 245 L HA 0.667 5.007 4.340 -0.000 0.000 0.268 245 L C 0.947 177.805 176.870 -0.020 0.000 1.058 245 L CA -1.066 53.687 54.840 -0.145 0.000 0.803 245 L CB 1.367 43.328 42.059 -0.165 0.000 1.212 245 L HN 0.169 nan 8.230 nan 0.000 0.451 246 R N 1.057 121.579 120.500 0.037 0.000 2.246 246 R HA 0.426 4.765 4.340 -0.000 0.000 0.332 246 R C -1.369 174.986 176.300 0.092 0.000 0.974 246 R CA -0.538 55.607 56.100 0.075 0.000 0.837 246 R CB 1.296 31.656 30.300 0.100 0.000 1.145 246 R HN 0.435 nan 8.270 nan 0.000 0.467 247 V N 6.551 126.520 119.914 0.091 0.000 2.356 247 V HA 0.030 4.150 4.120 -0.000 0.000 0.258 247 V C 1.243 177.420 176.094 0.139 0.000 1.065 247 V CA -0.138 62.224 62.300 0.103 0.000 0.935 247 V CB 1.101 32.982 31.823 0.097 0.000 1.061 247 V HN 0.739 nan 8.190 nan 0.000 0.484 248 V N 3.902 123.912 119.914 0.159 0.000 2.667 248 V HA 0.105 4.225 4.120 -0.000 0.000 0.252 248 V C 1.049 177.258 176.094 0.192 0.000 1.065 248 V CA 1.694 64.113 62.300 0.200 0.000 1.083 248 V CB -0.225 31.731 31.823 0.221 0.000 0.692 248 V HN 0.920 nan 8.190 nan 0.000 0.468 249 A N -0.758 122.176 122.820 0.190 0.000 2.594 249 A HA 0.730 5.049 4.320 -0.000 0.000 0.295 249 A C -1.139 176.602 177.584 0.262 0.000 1.071 249 A CA -0.601 51.585 52.037 0.249 0.000 0.685 249 A CB 1.489 20.715 19.000 0.376 0.000 1.285 249 A HN 0.225 nan 8.150 nan 0.000 0.405 250 Q N 0.706 120.669 119.800 0.272 0.000 2.309 250 Q HA 0.392 4.731 4.340 -0.000 0.000 0.270 250 Q C -1.980 174.172 176.000 0.253 0.000 1.023 250 Q CA -0.143 55.794 55.803 0.223 0.000 0.758 250 Q CB 2.063 30.877 28.738 0.126 0.000 1.247 250 Q HN 0.653 nan 8.270 nan 0.000 0.455 251 W N 1.693 122.914 121.300 -0.132 0.000 2.329 251 W HA 0.272 4.932 4.660 -0.001 0.000 0.312 251 W C 0.593 176.867 176.519 -0.407 0.000 1.054 251 W CA -0.723 56.512 57.345 -0.184 0.000 1.245 251 W CB 1.504 30.864 29.460 -0.166 0.000 1.255 251 W HN 0.601 nan 8.180 nan 0.000 0.436 252 S N 0.979 116.536 115.700 -0.239 0.000 2.730 252 S HA 0.292 4.762 4.470 -0.000 0.000 0.244 252 S C 0.684 175.279 174.600 -0.009 0.000 1.022 252 S CA -0.467 57.694 58.200 -0.065 0.000 1.014 252 S CB 0.073 63.261 63.200 -0.021 0.000 0.963 252 S HN 0.486 nan 8.310 nan 0.000 0.540 253 G N 1.434 110.197 108.800 -0.063 0.000 2.299 253 G HA2 0.348 4.308 3.960 -0.000 0.000 0.256 253 G HA3 0.348 4.308 3.960 -0.000 0.000 0.256 253 G C 0.166 175.044 174.900 -0.037 0.000 1.259 253 G CA 0.195 45.273 45.100 -0.036 0.000 0.943 253 G HN 0.329 nan 8.290 nan 0.000 0.479 254 D N 0.276 120.707 120.400 0.052 0.000 2.911 254 D HA -0.132 4.508 4.640 -0.000 0.000 0.227 254 D C 1.052 177.448 176.300 0.160 0.000 1.164 254 D CA 1.681 55.794 54.000 0.189 0.000 0.782 254 D CB -1.099 39.873 40.800 0.286 0.000 1.094 254 D HN 0.806 nan 8.370 nan 0.000 0.425 255 G N -1.045 107.801 108.800 0.077 0.000 2.504 255 G HA2 0.616 4.576 3.960 -0.000 0.000 0.288 255 G HA3 0.616 4.576 3.960 -0.000 0.000 0.288 255 G C -0.003 174.910 174.900 0.021 0.000 1.182 255 G CA 0.216 45.333 45.100 0.028 0.000 0.894 255 G HN 0.503 nan 8.290 nan 0.000 0.521 256 T N -1.233 113.316 114.554 -0.009 0.000 2.906 256 T HA 0.375 4.725 4.350 -0.000 0.000 0.295 256 T C 1.030 175.701 174.700 -0.049 0.000 1.061 256 T CA -0.668 61.436 62.100 0.007 0.000 1.000 256 T CB 1.695 70.592 68.868 0.049 0.000 1.103 256 T HN 0.406 nan 8.240 nan 0.000 0.486 257 L N 2.495 123.709 121.223 -0.016 0.000 2.042 257 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 257 L C 2.369 179.226 176.870 -0.021 0.000 1.076 257 L CA 1.763 56.584 54.840 -0.032 0.000 0.749 257 L CB -1.012 41.053 42.059 0.009 0.000 0.893 257 L HN 0.719 nan 8.230 nan 0.000 0.432 258 V N -0.023 119.904 119.914 0.022 0.000 2.252 258 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 258 V C 2.556 178.682 176.094 0.054 0.000 1.056 258 V CA 2.265 64.598 62.300 0.054 0.000 1.022 258 V CB -0.799 31.073 31.823 0.082 0.000 0.641 258 V HN 0.527 nan 8.190 nan 0.000 0.445 259 E N -0.436 119.792 120.200 0.047 0.000 2.085 259 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 259 E C 2.239 178.875 176.600 0.061 0.000 0.994 259 E CA 1.726 58.170 56.400 0.075 0.000 0.801 259 E CB -0.261 29.488 29.700 0.082 0.000 0.743 259 E HN 0.553 nan 8.360 nan 0.000 0.453 260 M N 0.394 119.936 119.600 -0.097 0.000 2.108 260 M HA -0.196 4.283 4.480 -0.000 0.000 0.261 260 M C 2.032 178.348 176.300 0.026 0.000 1.066 260 M CA 1.506 56.700 55.300 -0.177 0.000 1.107 260 M CB -0.230 32.006 32.600 -0.606 0.000 1.356 260 M HN 0.054 nan 8.290 nan 0.000 0.406 261 E N 0.146 120.336 120.200 -0.016 0.000 2.204 261 E HA -0.136 4.213 4.350 -0.000 0.000 0.195 261 E C 1.170 177.717 176.600 -0.087 0.000 0.990 261 E CA 0.665 57.053 56.400 -0.019 0.000 0.821 261 E CB -0.175 29.537 29.700 0.020 0.000 0.750 261 E HN 0.481 nan 8.360 nan 0.000 0.477 262 N N -0.124 118.547 118.700 -0.048 0.000 2.398 262 N HA -0.000 4.739 4.740 -0.000 0.000 0.188 262 N C 1.116 176.496 175.510 -0.218 0.000 1.122 262 N CA 0.461 53.428 53.050 -0.139 0.000 0.866 262 N CB 0.322 38.735 38.487 -0.124 0.000 0.970 262 N HN 0.031 nan 8.380 nan 0.000 0.462 263 T N 1.002 115.503 114.554 -0.088 0.000 2.867 263 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 263 T C -0.923 173.622 174.700 -0.258 0.000 1.057 263 T CA 0.739 62.815 62.100 -0.040 0.000 1.136 263 T CB -0.804 68.201 68.868 0.228 0.000 0.874 263 T HN 0.229 nan 8.240 nan 0.000 0.466 264 P HA 0.025 nan 4.420 nan 0.000 0.231 264 P C 0.402 177.364 177.300 -0.564 0.000 1.158 264 P CA 0.735 63.391 63.100 -0.742 0.000 0.763 264 P CB -0.262 30.775 31.700 -1.106 0.000 0.805 265 F N -1.601 118.201 119.950 -0.246 0.000 2.765 265 F HA 0.060 4.587 4.527 -0.000 0.000 0.302 265 F C 1.515 177.283 175.800 -0.053 0.000 1.111 265 F CA -0.507 57.394 58.000 -0.166 0.000 1.359 265 F CB -1.112 37.684 39.000 -0.340 0.000 1.097 265 F HN -0.216 nan 8.300 nan 0.000 0.577 266 V N -1.622 118.332 119.914 0.067 0.000 3.385 266 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 266 V C 1.268 177.425 176.094 0.105 0.000 1.082 266 V CA -0.764 61.602 62.300 0.109 0.000 1.085 266 V CB 0.971 32.835 31.823 0.070 0.000 1.152 266 V HN -0.039 nan 8.190 nan 0.000 0.465 267 K N 0.154 120.638 120.400 0.140 0.000 2.334 267 K HA 0.442 4.762 4.320 -0.000 0.000 0.195 267 K C -0.244 176.398 176.600 0.071 0.000 1.045 267 K CA 0.488 56.850 56.287 0.124 0.000 1.004 267 K CB 0.270 32.897 32.500 0.211 0.000 0.837 267 K HN 0.651 nan 8.250 nan 0.000 0.510 268 L N 1.004 122.285 121.223 0.096 0.000 2.588 268 L HA 0.363 4.702 4.340 -0.000 0.000 0.263 268 L C -1.961 174.938 176.870 0.048 0.000 0.935 268 L CA -0.446 54.424 54.840 0.049 0.000 0.891 268 L CB 1.859 43.934 42.059 0.027 0.000 1.318 268 L HN -0.150 nan 8.230 nan 0.000 0.409 269 N N 4.921 123.645 118.700 0.040 0.000 2.434 269 N HA 0.530 5.270 4.740 -0.000 0.000 0.272 269 N C -1.191 174.356 175.510 0.061 0.000 1.040 269 N CA -0.122 52.928 53.050 -0.001 0.000 0.956 269 N CB 1.863 40.319 38.487 -0.053 0.000 1.108 269 N HN 0.594 nan 8.380 nan 0.000 0.481 270 L N 2.579 123.808 121.223 0.010 0.000 2.283 270 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 270 L C -0.328 176.690 176.870 0.247 0.000 1.033 270 L CA -0.821 54.047 54.840 0.047 0.000 0.848 270 L CB 1.188 43.101 42.059 -0.243 0.000 1.226 270 L HN 0.058 nan 8.230 nan 0.000 0.429 271 V N 3.244 123.358 119.914 0.333 0.000 2.385 271 V HA 0.098 4.217 4.120 -0.000 0.000 0.269 271 V C 0.842 177.037 176.094 0.168 0.000 1.043 271 V CA -0.176 62.255 62.300 0.218 0.000 0.906 271 V CB 1.051 32.997 31.823 0.204 0.000 0.995 271 V HN 0.747 nan 8.190 nan 0.000 0.467 272 H N 3.265 122.254 119.070 -0.135 0.000 2.297 272 H HA 0.053 4.609 4.556 -0.000 0.000 0.317 272 H C 1.200 176.372 175.328 -0.261 0.000 1.062 272 H CA 0.898 56.674 56.048 -0.454 0.000 1.431 272 H CB 0.713 30.159 29.762 -0.527 0.000 1.452 272 H HN 0.617 nan 8.280 nan 0.000 0.565 273 C N 2.765 121.990 119.300 -0.126 0.000 2.345 273 C HA 0.026 4.486 4.460 -0.000 0.000 0.349 273 C C 1.720 176.625 174.990 -0.142 0.000 1.130 273 C CA -0.495 58.437 59.018 -0.144 0.000 1.574 273 C CB -2.343 25.410 27.740 0.022 0.000 2.108 273 C HN 0.615 nan 8.230 nan 0.000 0.516 274 Y N 4.593 124.729 120.300 -0.274 0.000 2.181 274 Y HA -0.130 4.420 4.550 -0.001 0.000 0.288 274 Y C 2.412 178.124 175.900 -0.313 0.000 1.146 274 Y CA 2.303 60.253 58.100 -0.249 0.000 1.164 274 Y CB -0.307 38.034 38.460 -0.197 0.000 0.982 274 Y HN 0.710 nan 8.280 nan 0.000 0.515 275 R N 0.905 121.237 120.500 -0.279 0.000 2.080 275 R HA -0.179 4.160 4.340 -0.000 0.000 0.236 275 R C 2.486 178.564 176.300 -0.370 0.000 1.137 275 R CA 2.446 58.336 56.100 -0.349 0.000 0.943 275 R CB -1.078 29.184 30.300 -0.062 0.000 0.846 275 R HN 0.481 nan 8.270 nan 0.000 0.431 276 S N -1.562 113.950 115.700 -0.314 0.000 2.470 276 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 276 S C 1.552 176.049 174.600 -0.173 0.000 1.006 276 S CA 0.941 58.894 58.200 -0.412 0.000 0.934 276 S CB 0.161 62.905 63.200 -0.761 0.000 0.778 276 S HN 0.398 nan 8.310 nan 0.000 0.517 277 M N 1.368 120.795 119.600 -0.289 0.000 2.540 277 M HA 0.259 4.738 4.480 -0.000 0.000 0.404 277 M C 0.905 176.905 176.300 -0.500 0.000 1.133 277 M CA 0.005 55.163 55.300 -0.237 0.000 0.900 277 M CB 0.524 33.034 32.600 -0.149 0.000 1.540 277 M HN 0.503 nan 8.290 nan 0.000 0.539 278 N N 0.201 118.392 118.700 -0.849 0.000 2.223 278 N HA -0.200 4.539 4.740 -0.000 0.000 0.185 278 N C 1.168 176.170 175.510 -0.846 0.000 1.016 278 N CA 1.720 54.144 53.050 -1.043 0.000 0.863 278 N CB -0.449 37.191 38.487 -1.411 0.000 0.983 278 N HN 0.292 nan 8.380 nan 0.000 0.429 279 Y N 0.151 120.155 120.300 -0.493 0.000 2.114 279 Y HA -0.148 4.401 4.550 -0.000 0.000 0.282 279 Y C 2.241 177.990 175.900 -0.251 0.000 1.165 279 Y CA 0.910 58.802 58.100 -0.348 0.000 1.148 279 Y CB -0.688 37.575 38.460 -0.329 0.000 0.972 279 Y HN 0.149 nan 8.280 nan 0.000 0.504 280 I N -0.119 120.405 120.570 -0.076 0.000 2.617 280 I HA -0.102 4.068 4.170 -0.000 0.000 0.256 280 I C 2.314 178.290 176.117 -0.234 0.000 1.167 280 I CA 0.994 62.252 61.300 -0.069 0.000 1.469 280 I CB -0.645 37.339 38.000 -0.026 0.000 1.098 280 I HN 0.153 nan 8.210 nan 0.000 0.436 281 A N 0.397 122.913 122.820 -0.507 0.000 1.898 281 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 281 A C 2.429 179.577 177.584 -0.727 0.000 1.181 281 A CA 1.584 53.174 52.037 -0.745 0.000 0.620 281 A CB -0.560 17.706 19.000 -1.224 0.000 0.819 281 A HN 0.386 nan 8.150 nan 0.000 0.442 282 R N -1.666 118.437 120.500 -0.662 0.000 2.081 282 R HA -0.153 4.186 4.340 -0.000 0.000 0.235 282 R C 2.257 178.531 176.300 -0.044 0.000 1.131 282 R CA 1.617 57.587 56.100 -0.218 0.000 0.960 282 R CB -0.539 29.700 30.300 -0.102 0.000 0.856 282 R HN 0.813 nan 8.270 nan 0.000 0.436 283 H N 0.587 119.594 119.070 -0.105 0.000 2.353 283 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 283 H C 1.965 177.288 175.328 -0.008 0.000 1.090 283 H CA 1.912 57.940 56.048 -0.033 0.000 1.327 283 H CB -0.004 29.754 29.762 -0.006 0.000 1.383 283 H HN 0.047 nan 8.280 nan 0.000 0.508 284 M N -0.176 119.364 119.600 -0.100 0.000 2.229 284 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 284 M C 2.301 178.590 176.300 -0.018 0.000 1.063 284 M CA 1.388 56.679 55.300 -0.014 0.000 1.114 284 M CB -0.058 32.533 32.600 -0.014 0.000 1.387 284 M HN 0.380 nan 8.290 nan 0.000 0.420 285 E N 0.730 120.932 120.200 0.003 0.000 2.051 285 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 285 E C 1.824 178.417 176.600 -0.011 0.000 0.991 285 E CA 1.583 58.027 56.400 0.075 0.000 0.799 285 E CB 0.159 30.004 29.700 0.242 0.000 0.748 285 E HN 0.420 nan 8.360 nan 0.000 0.449 286 E N 0.218 120.379 120.200 -0.065 0.000 2.072 286 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 286 E C 2.058 178.541 176.600 -0.196 0.000 0.982 286 E CA 1.343 57.686 56.400 -0.095 0.000 0.803 286 E CB -0.144 29.514 29.700 -0.070 0.000 0.755 286 E HN 0.314 nan 8.360 nan 0.000 0.453 287 K N -0.882 119.280 120.400 -0.396 0.000 2.166 287 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 287 K C 1.381 177.654 176.600 -0.546 0.000 1.052 287 K CA 1.190 57.146 56.287 -0.552 0.000 0.969 287 K CB 0.053 31.993 32.500 -0.933 0.000 0.761 287 K HN 0.364 nan 8.250 nan 0.000 0.459 288 H N -0.805 118.172 119.070 -0.154 0.000 2.755 288 H HA 0.201 4.756 4.556 -0.000 0.000 0.273 288 H C -0.460 174.835 175.328 -0.054 0.000 1.055 288 H CA -0.168 55.823 56.048 -0.094 0.000 1.191 288 H CB 1.060 30.756 29.762 -0.109 0.000 1.536 288 H HN 0.091 nan 8.280 nan 0.000 0.529 289 Q N -0.130 119.686 119.800 0.026 0.000 2.494 289 Q HA -0.157 4.182 4.340 -0.000 0.000 0.266 289 Q C -0.830 175.195 176.000 0.042 0.000 1.053 289 Q CA 0.586 56.404 55.803 0.025 0.000 1.029 289 Q CB -2.089 26.660 28.738 0.018 0.000 1.423 289 Q HN 0.571 nan 8.270 nan 0.000 0.516 290 I N 1.997 122.603 120.570 0.060 0.000 2.301 290 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 290 I C -1.741 174.426 176.117 0.084 0.000 1.046 290 I CA -2.208 59.123 61.300 0.052 0.000 1.282 290 I CB 0.751 38.769 38.000 0.031 0.000 1.409 290 I HN -0.100 nan 8.210 nan 0.000 0.484 291 P HA 0.011 nan 4.420 nan 0.000 0.269 291 P C -1.142 176.241 177.300 0.137 0.000 1.215 291 P CA 0.025 63.149 63.100 0.040 0.000 0.780 291 P CB 0.449 32.112 31.700 -0.062 0.000 0.898 292 W N 2.212 123.473 121.300 -0.066 0.000 3.031 292 W HA 0.701 5.361 4.660 -0.000 0.000 0.337 292 W C -1.551 174.944 176.519 -0.040 0.000 1.187 292 W CA -1.360 55.948 57.345 -0.061 0.000 1.166 292 W CB 0.812 30.232 29.460 -0.067 0.000 1.437 292 W HN 0.345 nan 8.180 nan 0.000 0.551 293 M N 0.414 120.091 119.600 0.129 0.000 2.470 293 M HA 0.533 5.013 4.480 -0.000 0.000 0.285 293 M C -1.357 175.072 176.300 0.215 0.000 1.213 293 M CA -0.706 54.574 55.300 -0.034 0.000 0.901 293 M CB 3.186 35.746 32.600 -0.067 0.000 1.718 293 M HN 0.407 nan 8.290 nan 0.000 0.469 294 E N 1.777 122.069 120.200 0.153 0.000 2.313 294 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 294 E C -1.594 175.151 176.600 0.242 0.000 1.038 294 E CA -0.325 56.212 56.400 0.229 0.000 0.863 294 E CB 1.159 30.933 29.700 0.123 0.000 1.060 294 E HN 0.614 nan 8.360 nan 0.000 0.402 295 Y N 0.028 120.378 120.300 0.084 0.000 2.715 295 Y HA 0.626 5.176 4.550 -0.000 0.000 0.331 295 Y C -1.333 174.670 175.900 0.173 0.000 1.197 295 Y CA -1.516 56.625 58.100 0.068 0.000 1.079 295 Y CB 1.419 39.867 38.460 -0.018 0.000 1.298 295 Y HN 0.341 nan 8.280 nan 0.000 0.477 296 N N 0.884 119.608 118.700 0.039 0.000 2.542 296 N HA 0.243 4.983 4.740 -0.000 0.000 0.288 296 N C -2.083 173.549 175.510 0.202 0.000 1.115 296 N CA -0.578 52.399 53.050 -0.121 0.000 0.924 296 N CB 0.870 39.081 38.487 -0.460 0.000 1.526 296 N HN 0.654 nan 8.380 nan 0.000 0.515 297 F N 2.659 122.534 119.950 -0.125 0.000 2.837 297 F HA 0.445 4.972 4.527 -0.000 0.000 0.298 297 F C -0.411 175.073 175.800 -0.526 0.000 1.161 297 F CA -0.829 56.947 58.000 -0.374 0.000 1.353 297 F CB -0.462 38.248 39.000 -0.483 0.000 0.951 297 F HN 0.323 nan 8.300 nan 0.000 0.508 298 F N 0.754 120.619 119.950 -0.140 0.000 2.313 298 F HA 0.570 5.097 4.527 -0.000 0.000 0.369 298 F C 0.851 176.443 175.800 -0.347 0.000 1.109 298 F CA -0.731 57.121 58.000 -0.245 0.000 1.132 298 F CB 0.590 39.438 39.000 -0.254 0.000 1.291 298 F HN 0.215 nan 8.300 nan 0.000 0.496 299 G N 4.902 113.543 108.800 -0.264 0.000 2.712 299 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 299 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 299 G C -2.226 172.326 174.900 -0.581 0.000 1.321 299 G CA -0.921 43.818 45.100 -0.602 0.000 0.813 299 G HN 0.372 nan 8.290 nan 0.000 0.599 300 P HA -0.077 nan 4.420 nan 0.000 0.217 300 P C 1.807 178.977 177.300 -0.217 0.000 1.150 300 P CA 2.201 65.093 63.100 -0.346 0.000 0.832 300 P CB -0.066 31.456 31.700 -0.297 0.000 0.787 301 T N 0.657 115.079 114.554 -0.219 0.000 2.708 301 T HA -0.088 4.261 4.350 -0.000 0.000 0.266 301 T C 1.822 176.452 174.700 -0.116 0.000 1.037 301 T CA 1.267 63.291 62.100 -0.127 0.000 1.146 301 T CB -0.364 68.444 68.868 -0.101 0.000 0.865 301 T HN 0.125 nan 8.240 nan 0.000 0.435 302 K N 0.914 121.228 120.400 -0.143 0.000 2.097 302 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 302 K C 2.259 178.808 176.600 -0.084 0.000 1.050 302 K CA 0.824 57.049 56.287 -0.103 0.000 0.938 302 K CB -0.601 31.828 32.500 -0.119 0.000 0.718 302 K HN 0.394 nan 8.250 nan 0.000 0.442 303 I N 1.134 121.574 120.570 -0.217 0.000 2.179 303 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 303 I C 2.489 178.482 176.117 -0.207 0.000 1.088 303 I CA 1.279 62.350 61.300 -0.381 0.000 1.357 303 I CB -0.412 37.053 38.000 -0.891 0.000 1.051 303 I HN 0.052 nan 8.210 nan 0.000 0.409 304 A N 0.189 122.933 122.820 -0.126 0.000 1.902 304 A HA -0.286 4.033 4.320 -0.000 0.000 0.217 304 A C 2.316 179.898 177.584 -0.003 0.000 1.181 304 A CA 2.064 54.086 52.037 -0.025 0.000 0.623 304 A CB -0.713 18.288 19.000 0.002 0.000 0.818 304 A HN 0.532 nan 8.150 nan 0.000 0.443 305 E N -0.142 120.054 120.200 -0.008 0.000 2.077 305 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 305 E C 2.119 178.749 176.600 0.050 0.000 0.989 305 E CA 1.455 57.862 56.400 0.012 0.000 0.800 305 E CB -0.112 29.585 29.700 -0.004 0.000 0.746 305 E HN 0.550 nan 8.360 nan 0.000 0.452 306 S N 0.661 116.423 115.700 0.102 0.000 2.355 306 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 306 S C 1.990 176.683 174.600 0.155 0.000 1.031 306 S CA 0.987 59.303 58.200 0.192 0.000 0.993 306 S CB -0.245 63.222 63.200 0.445 0.000 0.859 306 S HN 0.260 nan 8.310 nan 0.000 0.453 307 L N 0.904 122.213 121.223 0.143 0.000 2.042 307 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 307 L C 2.732 179.642 176.870 0.066 0.000 1.076 307 L CA 1.355 56.254 54.840 0.099 0.000 0.749 307 L CB -0.441 41.645 42.059 0.046 0.000 0.893 307 L HN 0.214 nan 8.230 nan 0.000 0.432 308 R N -0.041 120.489 120.500 0.051 0.000 2.081 308 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 308 R C 2.337 178.661 176.300 0.040 0.000 1.131 308 R CA 1.436 57.559 56.100 0.040 0.000 0.960 308 R CB -0.184 30.132 30.300 0.026 0.000 0.856 308 R HN 0.106 nan 8.270 nan 0.000 0.436 309 K N 1.031 121.453 120.400 0.037 0.000 2.062 309 K HA -0.036 4.283 4.320 -0.000 0.000 0.205 309 K C 1.765 178.380 176.600 0.026 0.000 1.051 309 K CA 1.166 57.466 56.287 0.022 0.000 0.941 309 K CB -0.102 32.408 32.500 0.017 0.000 0.719 309 K HN 0.058 nan 8.250 nan 0.000 0.440 310 I N 0.596 121.191 120.570 0.043 0.000 2.179 310 I HA -0.273 3.896 4.170 -0.000 0.000 0.242 310 I C 2.260 178.488 176.117 0.185 0.000 1.088 310 I CA 1.370 62.711 61.300 0.069 0.000 1.357 310 I CB -0.420 37.596 38.000 0.025 0.000 1.051 310 I HN 0.247 nan 8.210 nan 0.000 0.409 311 A N -0.047 122.869 122.820 0.160 0.000 2.019 311 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 311 A C 1.927 179.623 177.584 0.187 0.000 1.164 311 A CA 2.112 54.269 52.037 0.201 0.000 0.644 311 A CB -0.629 18.423 19.000 0.087 0.000 0.805 311 A HN 0.428 nan 8.150 nan 0.000 0.449 312 D N -0.877 119.579 120.400 0.092 0.000 2.350 312 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 312 D C 1.701 177.998 176.300 -0.004 0.000 0.968 312 D CA 0.682 54.708 54.000 0.042 0.000 0.894 312 D CB 0.025 40.830 40.800 0.009 0.000 0.909 312 D HN 0.307 nan 8.370 nan 0.000 0.520 313 Q N -1.021 118.741 119.800 -0.064 0.000 2.451 313 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 313 Q C 0.637 176.383 176.000 -0.424 0.000 0.947 313 Q CA 0.367 55.998 55.803 -0.286 0.000 0.937 313 Q CB 0.088 28.539 28.738 -0.478 0.000 1.025 313 Q HN 0.380 nan 8.270 nan 0.000 0.511 314 F N 0.607 120.590 119.950 0.054 0.000 2.393 314 F HA 0.160 4.686 4.527 -0.000 0.000 0.205 314 F C 0.520 176.380 175.800 0.100 0.000 1.104 314 F CA -0.096 57.971 58.000 0.113 0.000 1.070 314 F CB -0.027 39.080 39.000 0.178 0.000 1.368 314 F HN -0.009 nan 8.300 nan 0.000 0.607 315 D N -2.167 118.434 120.400 0.334 0.000 2.759 315 D HA 0.184 4.824 4.640 -0.000 0.000 0.321 315 D C -0.349 176.025 176.300 0.124 0.000 1.267 315 D CA -0.477 53.638 54.000 0.191 0.000 0.933 315 D CB 0.094 41.027 40.800 0.222 0.000 1.431 315 D HN -0.032 nan 8.370 nan 0.000 0.504 316 D N -0.684 119.766 120.400 0.083 0.000 2.178 316 D HA -0.082 4.557 4.640 -0.000 0.000 0.201 316 D C 1.587 177.904 176.300 0.028 0.000 0.980 316 D CA 1.601 55.630 54.000 0.049 0.000 0.842 316 D CB -0.341 40.482 40.800 0.038 0.000 0.948 316 D HN 0.474 nan 8.370 nan 0.000 0.472 317 T N 0.951 115.521 114.554 0.027 0.000 2.746 317 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 317 T C 1.843 176.490 174.700 -0.087 0.000 1.039 317 T CA 0.490 62.576 62.100 -0.024 0.000 1.142 317 T CB 0.078 68.932 68.868 -0.024 0.000 0.866 317 T HN 0.093 nan 8.240 nan 0.000 0.444 318 I N 1.209 121.710 120.570 -0.115 0.000 2.439 318 I HA 0.025 4.195 4.170 -0.000 0.000 0.251 318 I C 2.374 178.463 176.117 -0.046 0.000 1.139 318 I CA 0.941 62.141 61.300 -0.166 0.000 1.438 318 I CB -1.070 36.794 38.000 -0.228 0.000 1.085 318 I HN 0.207 nan 8.210 nan 0.000 0.427 319 R N 0.914 121.419 120.500 0.008 0.000 2.081 319 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 319 R C 2.362 178.665 176.300 0.005 0.000 1.131 319 R CA 1.576 57.689 56.100 0.021 0.000 0.960 319 R CB -0.353 29.966 30.300 0.032 0.000 0.856 319 R HN 0.339 nan 8.270 nan 0.000 0.436 320 A N 1.452 124.269 122.820 -0.006 0.000 1.930 320 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 320 A C 1.672 179.247 177.584 -0.015 0.000 1.175 320 A CA 1.375 53.407 52.037 -0.008 0.000 0.627 320 A CB -0.363 18.630 19.000 -0.011 0.000 0.815 320 A HN 0.244 nan 8.150 nan 0.000 0.443 321 N N 0.665 119.344 118.700 -0.035 0.000 2.188 321 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 321 N C 1.856 177.360 175.510 -0.010 0.000 1.018 321 N CA 1.482 54.509 53.050 -0.039 0.000 0.858 321 N CB -0.604 37.830 38.487 -0.088 0.000 0.989 321 N HN 0.461 nan 8.380 nan 0.000 0.426 322 A N 1.696 124.514 122.820 -0.003 0.000 1.908 322 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 322 A C 2.035 179.641 177.584 0.035 0.000 1.181 322 A CA 1.301 53.352 52.037 0.024 0.000 0.627 322 A CB -0.325 18.692 19.000 0.028 0.000 0.818 322 A HN 0.128 nan 8.150 nan 0.000 0.445 323 E N 0.030 120.243 120.200 0.022 0.000 2.110 323 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 323 E C 2.312 178.926 176.600 0.023 0.000 0.988 323 E CA 1.253 57.666 56.400 0.021 0.000 0.804 323 E CB -0.701 29.005 29.700 0.011 0.000 0.745 323 E HN 0.592 nan 8.360 nan 0.000 0.458 324 A N 0.996 123.826 122.820 0.017 0.000 1.902 324 A HA -0.125 4.194 4.320 -0.000 0.000 0.217 324 A C 2.624 180.232 177.584 0.039 0.000 1.181 324 A CA 1.419 53.463 52.037 0.013 0.000 0.623 324 A CB -0.606 18.395 19.000 0.001 0.000 0.818 324 A HN 0.140 nan 8.150 nan 0.000 0.443 325 V N 0.156 120.115 119.914 0.076 0.000 2.307 325 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 325 V C 2.418 178.642 176.094 0.217 0.000 1.045 325 V CA 1.951 64.355 62.300 0.172 0.000 1.024 325 V CB -0.670 31.262 31.823 0.181 0.000 0.651 325 V HN 0.569 nan 8.190 nan 0.000 0.449 326 I N 0.603 121.261 120.570 0.147 0.000 2.163 326 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 326 I C 2.670 178.802 176.117 0.024 0.000 1.085 326 I CA 1.592 62.960 61.300 0.114 0.000 1.347 326 I CB -0.609 37.447 38.000 0.093 0.000 1.044 326 I HN 0.286 nan 8.210 nan 0.000 0.408 327 A N 0.590 123.417 122.820 0.013 0.000 1.933 327 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 327 A C 2.448 179.996 177.584 -0.060 0.000 1.175 327 A CA 1.706 53.729 52.037 -0.024 0.000 0.628 327 A CB -0.668 18.320 19.000 -0.020 0.000 0.814 327 A HN 0.356 nan 8.150 nan 0.000 0.444 328 R N -1.954 118.507 120.500 -0.064 0.000 2.096 328 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 328 R C 1.078 177.184 176.300 -0.324 0.000 1.127 328 R CA 1.765 57.754 56.100 -0.186 0.000 0.968 328 R CB -0.258 29.921 30.300 -0.202 0.000 0.861 328 R HN 0.623 nan 8.270 nan 0.000 0.440 329 Y N -0.167 119.966 120.300 -0.278 0.000 2.457 329 Y HA 0.117 4.667 4.550 -0.000 0.000 0.263 329 Y C 1.954 177.621 175.900 -0.388 0.000 1.164 329 Y CA -0.109 57.729 58.100 -0.437 0.000 1.274 329 Y CB 0.400 38.267 38.460 -0.990 0.000 1.097 329 Y HN 0.101 nan 8.280 nan 0.000 0.523 330 E N 0.556 120.671 120.200 -0.142 0.000 2.110 330 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 330 E C 2.279 178.841 176.600 -0.063 0.000 0.988 330 E CA 1.188 57.528 56.400 -0.100 0.000 0.804 330 E CB -0.158 29.504 29.700 -0.064 0.000 0.745 330 E HN 0.580 nan 8.360 nan 0.000 0.458 331 G N 0.960 109.721 108.800 -0.065 0.000 2.408 331 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.217 331 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.217 331 G C 1.524 176.415 174.900 -0.014 0.000 1.150 331 G CA 0.839 45.916 45.100 -0.039 0.000 0.776 331 G HN 0.343 nan 8.290 nan 0.000 0.542 332 Q N -0.794 118.996 119.800 -0.017 0.000 2.050 332 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 332 Q C 2.569 178.622 176.000 0.088 0.000 0.980 332 Q CA 1.251 57.080 55.803 0.043 0.000 0.840 332 Q CB -0.152 28.631 28.738 0.075 0.000 0.898 332 Q HN 0.303 nan 8.270 nan 0.000 0.424 333 M N -0.009 119.626 119.600 0.059 0.000 2.086 333 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 333 M C 2.313 178.689 176.300 0.126 0.000 1.067 333 M CA 1.608 56.984 55.300 0.126 0.000 1.116 333 M CB -1.415 31.201 32.600 0.027 0.000 1.348 333 M HN 0.375 nan 8.290 nan 0.000 0.407 334 A N 0.141 122.996 122.820 0.060 0.000 1.940 334 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 334 A C 2.417 180.037 177.584 0.059 0.000 1.176 334 A CA 2.197 54.266 52.037 0.053 0.000 0.631 334 A CB -0.903 18.108 19.000 0.019 0.000 0.814 334 A HN 0.493 nan 8.150 nan 0.000 0.446 335 A N -0.235 122.618 122.820 0.054 0.000 1.930 335 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 335 A C 2.089 179.709 177.584 0.061 0.000 1.175 335 A CA 1.442 53.503 52.037 0.039 0.000 0.627 335 A CB -0.545 18.474 19.000 0.031 0.000 0.815 335 A HN 0.501 nan 8.150 nan 0.000 0.443 336 I N -0.073 120.579 120.570 0.137 0.000 2.252 336 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 336 I C 2.087 178.332 176.117 0.214 0.000 1.102 336 I CA 0.735 62.161 61.300 0.210 0.000 1.385 336 I CB -0.223 37.913 38.000 0.226 0.000 1.064 336 I HN 0.221 nan 8.210 nan 0.000 0.414 337 I N 1.111 121.809 120.570 0.213 0.000 2.226 337 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 337 I C 2.813 178.983 176.117 0.088 0.000 1.100 337 I CA 1.643 63.051 61.300 0.180 0.000 1.374 337 I CB -1.540 36.558 38.000 0.165 0.000 1.057 337 I HN 0.176 nan 8.210 nan 0.000 0.413 338 A N 0.490 123.336 122.820 0.044 0.000 1.969 338 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 338 A C 2.460 180.003 177.584 -0.068 0.000 1.169 338 A CA 1.744 53.778 52.037 -0.005 0.000 0.635 338 A CB -0.428 18.565 19.000 -0.011 0.000 0.810 338 A HN 0.397 nan 8.150 nan 0.000 0.445 339 K N -2.224 118.089 120.400 -0.144 0.000 2.098 339 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 339 K C 1.454 177.795 176.600 -0.432 0.000 1.051 339 K CA 1.293 57.358 56.287 -0.369 0.000 0.957 339 K CB -0.154 31.967 32.500 -0.632 0.000 0.738 339 K HN 0.501 nan 8.250 nan 0.000 0.447 340 Y N -0.225 120.052 120.300 -0.038 0.000 2.524 340 Y HA 0.217 4.767 4.550 -0.000 0.000 0.270 340 Y C 2.173 178.048 175.900 -0.041 0.000 1.094 340 Y CA 0.091 58.154 58.100 -0.061 0.000 1.276 340 Y CB 0.048 38.431 38.460 -0.127 0.000 1.130 340 Y HN -0.044 nan 8.280 nan 0.000 0.536 341 R N 0.746 121.319 120.500 0.122 0.000 2.091 341 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 341 R C -1.013 175.319 176.300 0.054 0.000 1.136 341 R CA 1.634 57.788 56.100 0.090 0.000 0.959 341 R CB -1.116 29.241 30.300 0.094 0.000 0.856 341 R HN 0.201 nan 8.270 nan 0.000 0.437 342 P HA -0.094 nan 4.420 nan 0.000 0.222 342 P C 0.308 177.618 177.300 0.017 0.000 1.147 342 P CA 1.300 64.409 63.100 0.014 0.000 0.790 342 P CB -0.004 31.693 31.700 -0.005 0.000 0.780 343 R N -1.314 119.203 120.500 0.029 0.000 2.297 343 R HA 0.218 4.557 4.340 -0.000 0.000 0.197 343 R C 1.509 177.829 176.300 0.033 0.000 0.943 343 R CA 0.574 56.695 56.100 0.035 0.000 1.038 343 R CB -0.124 30.213 30.300 0.061 0.000 0.957 343 R HN 0.275 nan 8.270 nan 0.000 0.484 344 L N 0.052 121.295 121.223 0.033 0.000 2.803 344 L HA 0.130 4.470 4.340 -0.000 0.000 0.246 344 L C 0.042 176.925 176.870 0.021 0.000 1.100 344 L CA -0.310 54.541 54.840 0.019 0.000 0.919 344 L CB 0.339 42.407 42.059 0.014 0.000 1.285 344 L HN 0.048 nan 8.230 nan 0.000 0.522 345 E N 0.796 121.013 120.200 0.029 0.000 2.392 345 E HA 0.364 4.714 4.350 -0.000 0.000 0.264 345 E C 1.102 177.710 176.600 0.012 0.000 1.024 345 E CA 0.605 57.022 56.400 0.028 0.000 0.903 345 E CB 0.558 30.277 29.700 0.031 0.000 0.963 345 E HN 0.257 nan 8.360 nan 0.000 0.432 346 G N 2.289 111.094 108.800 0.009 0.000 2.241 346 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 346 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 346 G C 0.097 174.986 174.900 -0.018 0.000 0.998 346 G CA 0.062 45.160 45.100 -0.004 0.000 0.621 346 G HN 0.501 nan 8.290 nan 0.000 0.519 347 R N 0.903 121.390 120.500 -0.021 0.000 2.539 347 R HA 0.531 4.871 4.340 -0.000 0.000 0.275 347 R C -0.114 176.147 176.300 -0.065 0.000 1.077 347 R CA -0.203 55.870 56.100 -0.045 0.000 1.097 347 R CB 0.773 31.043 30.300 -0.050 0.000 1.018 347 R HN 0.217 nan 8.270 nan 0.000 0.483 348 K N 0.997 121.343 120.400 -0.090 0.000 2.182 348 K HA 0.480 4.800 4.320 -0.000 0.000 0.262 348 K C -0.113 176.387 176.600 -0.166 0.000 0.957 348 K CA -0.764 55.455 56.287 -0.114 0.000 0.842 348 K CB 2.090 34.532 32.500 -0.097 0.000 1.099 348 K HN 0.390 nan 8.250 nan 0.000 0.438 349 V N 2.548 122.334 119.914 -0.214 0.000 2.628 349 V HA 0.544 4.663 4.120 -0.000 0.000 0.306 349 V C -0.438 175.505 176.094 -0.253 0.000 1.045 349 V CA -1.045 61.074 62.300 -0.302 0.000 0.905 349 V CB 1.785 33.284 31.823 -0.540 0.000 0.997 349 V HN 0.770 nan 8.190 nan 0.000 0.436 350 L N 5.021 126.103 121.223 -0.235 0.000 2.333 350 L HA 0.685 5.025 4.340 -0.000 0.000 0.280 350 L C -1.283 175.489 176.870 -0.163 0.000 1.004 350 L CA -0.348 54.399 54.840 -0.156 0.000 0.820 350 L CB 1.256 43.244 42.059 -0.119 0.000 1.247 350 L HN 0.560 nan 8.230 nan 0.000 0.416 351 L N 5.292 126.446 121.223 -0.115 0.000 2.329 351 L HA 0.485 4.825 4.340 -0.000 0.000 0.279 351 L C -1.510 175.360 176.870 -0.000 0.000 1.014 351 L CA -0.765 54.002 54.840 -0.123 0.000 0.814 351 L CB 1.830 43.761 42.059 -0.213 0.000 1.257 351 L HN 0.549 nan 8.230 nan 0.000 0.424 352 Y N 3.865 124.094 120.300 -0.117 0.000 2.301 352 Y HA 0.593 5.143 4.550 -0.000 0.000 0.325 352 Y C -0.951 174.915 175.900 -0.057 0.000 1.103 352 Y CA -0.690 57.361 58.100 -0.081 0.000 1.182 352 Y CB 1.372 39.916 38.460 0.141 0.000 1.139 352 Y HN 0.580 nan 8.280 nan 0.000 0.443 353 M N 2.148 121.382 119.600 -0.611 0.000 3.321 353 M HA 0.639 5.119 4.480 -0.000 0.000 0.314 353 M C 1.097 177.037 176.300 -0.600 0.000 1.413 353 M CA 0.129 55.126 55.300 -0.505 0.000 0.768 353 M CB 0.215 32.469 32.600 -0.576 0.000 1.997 353 M HN 0.447 nan 8.290 nan 0.000 0.433 354 G N -0.976 107.519 108.800 -0.508 0.000 2.655 354 G HA2 0.395 4.354 3.960 -0.000 0.000 0.217 354 G HA3 0.395 4.354 3.960 -0.000 0.000 0.217 354 G C 0.798 174.985 174.900 -1.189 0.000 1.279 354 G CA 0.559 45.142 45.100 -0.860 0.000 0.870 354 G HN 0.816 nan 8.290 nan 0.000 0.560 355 G N -1.276 107.194 108.800 -0.551 0.000 3.738 355 G HA2 0.383 4.343 3.960 -0.000 0.000 0.241 355 G HA3 0.383 4.343 3.960 -0.000 0.000 0.241 355 G C 0.561 175.447 174.900 -0.024 0.000 1.068 355 G CA 0.713 45.656 45.100 -0.263 0.000 0.899 355 G HN 0.454 nan 8.290 nan 0.000 0.519 356 L N -1.166 120.072 121.223 0.026 0.000 2.463 356 L HA 0.486 4.825 4.340 -0.000 0.000 0.208 356 L C 2.164 179.001 176.870 -0.056 0.000 1.082 356 L CA 0.513 55.333 54.840 -0.034 0.000 0.997 356 L CB -0.334 41.638 42.059 -0.146 0.000 1.953 356 L HN -0.069 nan 8.230 nan 0.000 0.499 357 R N 0.583 121.024 120.500 -0.097 0.000 2.127 357 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 357 R C -0.900 175.252 176.300 -0.247 0.000 1.134 357 R CA 1.794 57.813 56.100 -0.135 0.000 0.975 357 R CB -1.408 28.828 30.300 -0.107 0.000 0.865 357 R HN 0.379 nan 8.270 nan 0.000 0.447 358 P HA -0.202 nan 4.420 nan 0.000 0.219 358 P C 0.753 177.796 177.300 -0.428 0.000 1.146 358 P CA 1.480 64.227 63.100 -0.589 0.000 0.808 358 P CB -0.003 30.962 31.700 -1.226 0.000 0.779 359 R N -2.752 117.581 120.500 -0.277 0.000 2.175 359 R HA 0.075 4.415 4.340 -0.000 0.000 0.202 359 R C 1.892 178.172 176.300 -0.033 0.000 1.018 359 R CA 0.529 56.569 56.100 -0.098 0.000 1.029 359 R CB -1.229 29.085 30.300 0.023 0.000 0.959 359 R HN 0.119 nan 8.270 nan 0.000 0.480 360 H N 1.405 120.368 119.070 -0.178 0.000 2.423 360 H HA -0.010 4.546 4.556 -0.000 0.000 0.297 360 H C 1.855 177.020 175.328 -0.272 0.000 1.075 360 H CA 1.728 57.681 56.048 -0.158 0.000 1.342 360 H CB 0.352 30.061 29.762 -0.087 0.000 1.395 360 H HN 0.199 nan 8.280 nan 0.000 0.530 361 V N -1.940 117.741 119.914 -0.388 0.000 3.623 361 V HA 0.046 4.166 4.120 -0.000 0.000 0.271 361 V C 2.041 178.058 176.094 -0.128 0.000 1.248 361 V CA 0.527 62.504 62.300 -0.539 0.000 1.156 361 V CB -0.632 30.888 31.823 -0.505 0.000 0.870 361 V HN 0.274 nan 8.190 nan 0.000 0.453 362 I N 2.235 122.775 120.570 -0.050 0.000 2.226 362 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 362 I C 2.777 178.918 176.117 0.041 0.000 1.100 362 I CA 1.855 63.183 61.300 0.046 0.000 1.374 362 I CB -0.915 37.072 38.000 -0.022 0.000 1.057 362 I HN 0.450 nan 8.210 nan 0.000 0.413 363 G N 0.628 109.403 108.800 -0.042 0.000 2.476 363 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 363 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 363 G C 1.849 176.724 174.900 -0.043 0.000 1.164 363 G CA 0.938 46.008 45.100 -0.051 0.000 0.768 363 G HN 0.509 nan 8.290 nan 0.000 0.560 364 A N -0.207 122.545 122.820 -0.113 0.000 1.933 364 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 364 A C 2.230 179.888 177.584 0.123 0.000 1.175 364 A CA 1.507 53.472 52.037 -0.119 0.000 0.628 364 A CB -0.561 18.111 19.000 -0.547 0.000 0.814 364 A HN 0.404 nan 8.150 nan 0.000 0.444 365 Y N 0.073 120.472 120.300 0.166 0.000 2.200 365 Y HA -0.133 4.417 4.550 -0.000 0.000 0.290 365 Y C 2.496 178.465 175.900 0.115 0.000 1.137 365 Y CA 1.664 59.888 58.100 0.207 0.000 1.163 365 Y CB -0.224 38.299 38.460 0.105 0.000 0.988 365 Y HN 0.397 nan 8.280 nan 0.000 0.518 366 E N -0.153 120.173 120.200 0.210 0.000 2.150 366 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 366 E C 1.383 178.046 176.600 0.106 0.000 0.985 366 E CA 1.121 57.592 56.400 0.119 0.000 0.814 366 E CB -0.106 29.630 29.700 0.059 0.000 0.752 366 E HN 0.508 nan 8.360 nan 0.000 0.466 367 D N 0.423 120.889 120.400 0.110 0.000 2.218 367 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 367 D C 1.405 177.828 176.300 0.206 0.000 0.976 367 D CA 0.834 54.904 54.000 0.115 0.000 0.853 367 D CB 0.074 40.895 40.800 0.034 0.000 0.939 367 D HN 0.205 nan 8.370 nan 0.000 0.481 368 L N -0.580 120.786 121.223 0.239 0.000 2.685 368 L HA 0.251 4.591 4.340 -0.000 0.000 0.233 368 L C 1.337 178.284 176.870 0.129 0.000 1.173 368 L CA 0.019 54.974 54.840 0.191 0.000 0.961 368 L CB 0.170 42.319 42.059 0.150 0.000 1.217 368 L HN 0.054 nan 8.230 nan 0.000 0.478 369 G N -0.120 108.749 108.800 0.114 0.000 2.162 369 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.260 369 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.260 369 G C 0.309 175.249 174.900 0.067 0.000 0.976 369 G CA 0.127 45.272 45.100 0.075 0.000 0.655 369 G HN 0.289 nan 8.290 nan 0.000 0.533 370 M N 0.119 119.778 119.600 0.099 0.000 2.359 370 M HA 0.572 5.052 4.480 -0.000 0.000 0.322 370 M C 0.078 176.400 176.300 0.037 0.000 1.166 370 M CA -0.428 54.915 55.300 0.072 0.000 1.067 370 M CB 1.668 34.350 32.600 0.137 0.000 1.523 370 M HN 0.124 nan 8.290 nan 0.000 0.467 371 E N 1.842 122.028 120.200 -0.023 0.000 2.222 371 E HA 0.423 4.773 4.350 -0.000 0.000 0.267 371 E C -1.348 175.193 176.600 -0.098 0.000 0.884 371 E CA -0.764 55.610 56.400 -0.043 0.000 0.764 371 E CB 1.644 31.321 29.700 -0.037 0.000 1.169 371 E HN 0.498 nan 8.360 nan 0.000 0.413 372 I N 6.016 126.526 120.570 -0.100 0.000 2.337 372 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 372 I C 1.444 177.502 176.117 -0.098 0.000 1.046 372 I CA -0.114 61.103 61.300 -0.137 0.000 1.324 372 I CB 0.441 38.364 38.000 -0.128 0.000 1.409 372 I HN 0.768 nan 8.210 nan 0.000 0.494 373 I N 2.655 123.162 120.570 -0.104 0.000 3.860 373 I HA 0.565 4.735 4.170 -0.000 0.000 0.319 373 I C 0.631 176.708 176.117 -0.066 0.000 1.279 373 I CA 0.074 61.326 61.300 -0.080 0.000 1.220 373 I CB 0.362 38.312 38.000 -0.084 0.000 1.027 373 I HN 0.491 nan 8.210 nan 0.000 0.428 374 A N 1.146 123.937 122.820 -0.048 0.000 2.577 374 A HA 0.858 5.178 4.320 -0.000 0.000 0.297 374 A C -1.308 176.306 177.584 0.051 0.000 1.060 374 A CA -0.027 52.032 52.037 0.037 0.000 0.697 374 A CB 1.157 20.188 19.000 0.051 0.000 1.281 374 A HN 0.471 nan 8.150 nan 0.000 0.402 375 A N 0.547 123.395 122.820 0.048 0.000 2.459 375 A HA 0.938 5.257 4.320 -0.000 0.000 0.296 375 A C -0.137 177.143 177.584 -0.506 0.000 1.039 375 A CA 0.095 52.023 52.037 -0.182 0.000 0.698 375 A CB 1.477 20.343 19.000 -0.222 0.000 1.261 375 A HN 2.422 nan 8.150 nan 0.000 0.405 376 G N 0.010 108.353 108.800 -0.763 0.000 2.694 376 G HA2 0.669 4.629 3.960 -0.000 0.000 0.290 376 G HA3 0.669 4.629 3.960 -0.000 0.000 0.290 376 G C -1.849 172.640 174.900 -0.684 0.000 1.386 376 G CA -0.504 43.987 45.100 -1.014 0.000 0.872 376 G HN 0.561 nan 8.290 nan 0.000 0.475 377 Y N -0.549 119.520 120.300 -0.384 0.000 2.499 377 Y HA 0.397 4.947 4.550 -0.001 0.000 0.347 377 Y C 1.349 177.009 175.900 -0.399 0.000 0.987 377 Y CA -0.851 56.919 58.100 -0.549 0.000 1.044 377 Y CB 2.452 40.640 38.460 -0.453 0.000 1.245 377 Y HN 0.658 nan 8.280 nan 0.000 0.461 378 E N 1.395 121.332 120.200 -0.438 0.000 2.028 378 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 378 E C 0.162 176.859 176.600 0.160 0.000 0.988 378 E CA 1.885 58.263 56.400 -0.038 0.000 0.799 378 E CB -0.024 29.690 29.700 0.023 0.000 0.755 378 E HN 0.672 nan 8.360 nan 0.000 0.447 379 F N -2.260 117.786 119.950 0.161 0.000 2.901 379 F HA 0.575 5.102 4.527 -0.001 0.000 0.329 379 F C 0.028 175.936 175.800 0.180 0.000 1.185 379 F CA -0.995 57.105 58.000 0.168 0.000 1.114 379 F CB -0.373 38.696 39.000 0.115 0.000 1.199 379 F HN -0.189 nan 8.300 nan 0.000 0.513 380 A N 1.115 123.939 122.820 0.008 0.000 2.386 380 A HA 0.434 4.753 4.320 -0.000 0.000 0.246 380 A C -0.130 177.615 177.584 0.267 0.000 1.089 380 A CA 0.031 51.975 52.037 -0.155 0.000 0.790 380 A CB -0.014 18.264 19.000 -1.203 0.000 1.042 380 A HN 0.682 nan 8.150 nan 0.000 0.497 381 H N -0.409 118.639 119.070 -0.036 0.000 2.630 381 H HA 0.205 4.761 4.556 -0.000 0.000 0.343 381 H C 0.329 175.749 175.328 0.153 0.000 1.232 381 H CA -1.062 55.050 56.048 0.107 0.000 1.294 381 H CB 0.968 30.790 29.762 0.099 0.000 1.746 381 H HN 0.708 nan 8.280 nan 0.000 0.593 382 N N 0.769 119.652 118.700 0.305 0.000 2.289 382 N HA -0.155 4.584 4.740 -0.000 0.000 0.184 382 N C 1.105 176.721 175.510 0.176 0.000 1.016 382 N CA 1.217 54.426 53.050 0.264 0.000 0.872 382 N CB -0.242 38.322 38.487 0.128 0.000 0.973 382 N HN 0.613 nan 8.380 nan 0.000 0.433 383 D N -0.179 120.303 120.400 0.138 0.000 2.264 383 D HA -0.115 4.524 4.640 -0.000 0.000 0.208 383 D C 0.820 177.085 176.300 -0.057 0.000 0.966 383 D CA 0.872 54.906 54.000 0.056 0.000 0.864 383 D CB -0.286 40.583 40.800 0.114 0.000 0.933 383 D HN 0.169 nan 8.370 nan 0.000 0.499 384 D N -0.279 120.054 120.400 -0.113 0.000 2.162 384 D HA -0.103 4.536 4.640 -0.000 0.000 0.203 384 D C 1.780 177.856 176.300 -0.373 0.000 0.967 384 D CA 0.691 54.483 54.000 -0.347 0.000 0.840 384 D CB -0.304 40.072 40.800 -0.707 0.000 0.972 384 D HN 0.294 nan 8.370 nan 0.000 0.482 385 Y N 1.964 122.182 120.300 -0.138 0.000 2.181 385 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 385 Y C 2.215 178.103 175.900 -0.021 0.000 1.146 385 Y CA 0.961 59.038 58.100 -0.038 0.000 1.164 385 Y CB -0.332 38.118 38.460 -0.017 0.000 0.982 385 Y HN -0.110 nan 8.280 nan 0.000 0.515 386 D N 0.031 120.482 120.400 0.085 0.000 2.116 386 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 386 D C 2.046 178.335 176.300 -0.018 0.000 0.998 386 D CA 1.405 55.421 54.000 0.027 0.000 0.836 386 D CB -0.372 40.425 40.800 -0.004 0.000 0.951 386 D HN 0.314 nan 8.370 nan 0.000 0.449 387 R N -0.150 120.305 120.500 -0.074 0.000 2.285 387 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 387 R C 1.987 178.263 176.300 -0.040 0.000 1.068 387 R CA 0.873 56.917 56.100 -0.094 0.000 1.004 387 R CB -0.039 30.153 30.300 -0.180 0.000 0.873 387 R HN 0.132 nan 8.270 nan 0.000 0.467 388 T N 0.851 115.403 114.554 -0.003 0.000 2.978 388 T HA 0.057 4.407 4.350 -0.000 0.000 0.262 388 T C 1.746 176.459 174.700 0.023 0.000 1.063 388 T CA 0.478 62.596 62.100 0.029 0.000 1.140 388 T CB 0.053 68.976 68.868 0.091 0.000 0.886 388 T HN 0.123 nan 8.240 nan 0.000 0.470 389 L N 1.040 122.281 121.223 0.030 0.000 2.081 389 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 389 L C -0.532 176.339 176.870 0.002 0.000 1.080 389 L CA 1.355 56.207 54.840 0.021 0.000 0.754 389 L CB -1.818 40.255 42.059 0.023 0.000 0.893 389 L HN 0.208 nan 8.230 nan 0.000 0.433 390 P HA -0.100 nan 4.420 nan 0.000 0.226 390 P C 0.434 177.724 177.300 -0.018 0.000 1.153 390 P CA 1.206 64.296 63.100 -0.017 0.000 0.777 390 P CB 0.040 31.724 31.700 -0.026 0.000 0.794 391 D N -1.239 119.150 120.400 -0.018 0.000 2.462 391 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 391 D C 0.251 176.539 176.300 -0.020 0.000 1.173 391 D CA 0.119 54.106 54.000 -0.022 0.000 0.831 391 D CB 0.264 41.046 40.800 -0.030 0.000 1.001 391 D HN 0.192 nan 8.370 nan 0.000 0.499 392 L N 0.693 121.907 121.223 -0.014 0.000 2.325 392 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 392 L C 0.579 177.441 176.870 -0.014 0.000 1.023 392 L CA -0.956 53.875 54.840 -0.015 0.000 0.811 392 L CB 1.643 43.699 42.059 -0.005 0.000 1.249 392 L HN -0.408 nan 8.230 nan 0.000 0.431 393 K N 1.691 122.081 120.400 -0.018 0.000 2.154 393 K HA 0.163 4.483 4.320 -0.000 0.000 0.264 393 K C -0.192 176.399 176.600 -0.015 0.000 1.008 393 K CA -0.399 55.878 56.287 -0.016 0.000 0.937 393 K CB 1.042 33.531 32.500 -0.019 0.000 1.002 393 K HN 0.538 nan 8.250 nan 0.000 0.469 394 E N -0.035 120.157 120.200 -0.013 0.000 2.452 394 E HA 0.015 4.365 4.350 -0.000 0.000 0.261 394 E C 0.567 177.158 176.600 -0.015 0.000 0.987 394 E CA 1.016 57.409 56.400 -0.012 0.000 0.926 394 E CB 0.064 29.758 29.700 -0.011 0.000 0.934 394 E HN 0.735 nan 8.360 nan 0.000 0.452 395 G N 3.219 112.010 108.800 -0.014 0.000 2.176 395 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.253 395 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.253 395 G C 0.345 175.230 174.900 -0.026 0.000 0.979 395 G CA 0.289 45.377 45.100 -0.019 0.000 0.641 395 G HN 0.632 nan 8.290 nan 0.000 0.530 396 T N 1.338 115.879 114.554 -0.022 0.000 2.940 396 T HA 0.375 4.725 4.350 -0.000 0.000 0.309 396 T C 0.498 175.187 174.700 -0.018 0.000 1.056 396 T CA 0.145 62.230 62.100 -0.025 0.000 1.137 396 T CB 1.557 70.413 68.868 -0.019 0.000 0.976 396 T HN 0.665 nan 8.240 nan 0.000 0.547 397 L N 4.454 125.655 121.223 -0.036 0.000 2.418 397 L HA 0.477 4.816 4.340 -0.000 0.000 0.274 397 L C -0.719 176.215 176.870 0.106 0.000 1.135 397 L CA -0.212 54.607 54.840 -0.035 0.000 0.870 397 L CB 0.143 42.082 42.059 -0.200 0.000 1.154 397 L HN 0.516 nan 8.230 nan 0.000 0.462 398 L N 7.551 128.862 121.223 0.147 0.000 2.376 398 L HA 0.749 5.088 4.340 -0.000 0.000 0.275 398 L C -1.095 175.950 176.870 0.292 0.000 0.987 398 L CA -0.278 54.680 54.840 0.197 0.000 0.828 398 L CB 1.241 43.388 42.059 0.146 0.000 1.249 398 L HN 0.595 nan 8.230 nan 0.000 0.409 399 F N 1.448 121.520 119.950 0.204 0.000 2.685 399 F HA 0.799 5.326 4.527 -0.001 0.000 0.315 399 F C -1.485 174.556 175.800 0.400 0.000 1.126 399 F CA -1.168 56.965 58.000 0.223 0.000 0.950 399 F CB 1.404 40.534 39.000 0.216 0.000 1.360 399 F HN 0.469 nan 8.300 nan 0.000 0.469 400 D N 0.335 121.047 120.400 0.519 0.000 2.896 400 D HA 0.338 4.978 4.640 -0.000 0.000 0.241 400 D C -1.287 175.319 176.300 0.509 0.000 1.188 400 D CA -0.035 54.262 54.000 0.495 0.000 0.879 400 D CB 1.613 42.611 40.800 0.331 0.000 1.553 400 D HN 0.917 nan 8.370 nan 0.000 0.515 401 D N 2.382 123.088 120.400 0.510 0.000 2.803 401 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 401 D C -0.957 175.550 176.300 0.345 0.000 1.182 401 D CA 1.055 55.302 54.000 0.411 0.000 0.726 401 D CB -0.876 40.075 40.800 0.252 0.000 0.987 401 D HN 0.543 nan 8.370 nan 0.000 0.412 402 A N 1.410 124.503 122.820 0.455 0.000 2.388 402 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 402 A C 0.968 178.635 177.584 0.139 0.000 1.095 402 A CA 0.178 52.357 52.037 0.236 0.000 0.791 402 A CB 0.572 19.654 19.000 0.137 0.000 1.029 402 A HN 0.775 nan 8.150 nan 0.000 0.489 403 S N 1.345 117.118 115.700 0.121 0.000 2.624 403 S HA 0.234 4.704 4.470 -0.000 0.000 0.263 403 S C 1.316 175.952 174.600 0.060 0.000 1.287 403 S CA 0.173 58.447 58.200 0.123 0.000 0.990 403 S CB 1.148 64.460 63.200 0.186 0.000 0.950 403 S HN 1.066 nan 8.310 nan 0.000 0.561 404 S N -0.128 115.613 115.700 0.067 0.000 2.382 404 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 404 S C 1.587 176.191 174.600 0.006 0.000 1.027 404 S CA 1.303 59.523 58.200 0.034 0.000 0.991 404 S CB -1.006 62.206 63.200 0.019 0.000 0.823 404 S HN 0.746 nan 8.310 nan 0.000 0.469 405 Y N 1.925 122.170 120.300 -0.092 0.000 2.081 405 Y HA -0.205 4.345 4.550 0.001 0.000 0.280 405 Y C 2.195 177.976 175.900 -0.198 0.000 1.163 405 Y CA 2.471 60.490 58.100 -0.135 0.000 1.135 405 Y CB -0.449 37.902 38.460 -0.183 0.000 0.970 405 Y HN 0.402 nan 8.280 nan 0.000 0.498 406 E N -0.013 120.156 120.200 -0.052 0.000 2.072 406 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 406 E C 2.236 178.340 176.600 -0.826 0.000 0.985 406 E CA 1.452 57.556 56.400 -0.493 0.000 0.801 406 E CB -0.291 29.172 29.700 -0.395 0.000 0.750 406 E HN 0.492 nan 8.360 nan 0.000 0.452 407 L N 0.971 121.960 121.223 -0.389 0.000 2.042 407 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 407 L C 2.312 179.164 176.870 -0.030 0.000 1.076 407 L CA 1.349 56.078 54.840 -0.184 0.000 0.749 407 L CB -0.386 41.702 42.059 0.048 0.000 0.893 407 L HN 0.154 nan 8.230 nan 0.000 0.432 408 E N 0.049 120.252 120.200 0.006 0.000 2.077 408 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 408 E C 2.304 178.839 176.600 -0.109 0.000 0.989 408 E CA 1.162 57.606 56.400 0.073 0.000 0.800 408 E CB -0.191 29.450 29.700 -0.098 0.000 0.746 408 E HN 0.508 nan 8.360 nan 0.000 0.452 409 A N 0.895 123.504 122.820 -0.351 0.000 1.930 409 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 409 A C 1.832 179.355 177.584 -0.102 0.000 1.175 409 A CA 1.018 52.869 52.037 -0.310 0.000 0.627 409 A CB -0.579 18.136 19.000 -0.475 0.000 0.815 409 A HN 0.133 nan 8.150 nan 0.000 0.443 410 F N 0.036 119.882 119.950 -0.173 0.000 2.134 410 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 410 F C 2.519 178.222 175.800 -0.161 0.000 1.097 410 F CA 0.768 58.651 58.000 -0.195 0.000 1.264 410 F CB -1.242 37.565 39.000 -0.322 0.000 1.001 410 F HN 0.027 nan 8.300 nan 0.000 0.479 411 V N 0.225 120.154 119.914 0.026 0.000 2.295 411 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 411 V C 2.371 178.455 176.094 -0.016 0.000 1.049 411 V CA 1.843 64.105 62.300 -0.063 0.000 1.024 411 V CB -0.645 31.060 31.823 -0.197 0.000 0.648 411 V HN 0.273 nan 8.190 nan 0.000 0.447 412 K N 0.021 120.425 120.400 0.008 0.000 2.103 412 K HA -0.148 4.171 4.320 -0.000 0.000 0.207 412 K C 2.226 178.824 176.600 -0.003 0.000 1.048 412 K CA 1.571 57.860 56.287 0.003 0.000 0.930 412 K CB -0.334 32.156 32.500 -0.016 0.000 0.716 412 K HN 0.503 nan 8.250 nan 0.000 0.444 413 A N 0.943 123.766 122.820 0.005 0.000 1.903 413 A HA -0.004 4.316 4.320 -0.000 0.000 0.213 413 A C 2.033 179.612 177.584 -0.008 0.000 1.185 413 A CA 0.794 52.835 52.037 0.007 0.000 0.628 413 A CB -0.333 18.687 19.000 0.033 0.000 0.830 413 A HN 0.116 nan 8.150 nan 0.000 0.446 414 L N -1.226 119.986 121.223 -0.017 0.000 2.240 414 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 414 L C 0.197 177.036 176.870 -0.051 0.000 1.106 414 L CA 0.542 55.356 54.840 -0.044 0.000 0.793 414 L CB -0.294 41.725 42.059 -0.066 0.000 0.927 414 L HN 0.332 nan 8.230 nan 0.000 0.446 415 K N -0.193 120.177 120.400 -0.050 0.000 3.419 415 K HA -0.147 4.173 4.320 -0.000 0.000 0.272 415 K C -2.204 174.347 176.600 -0.081 0.000 0.973 415 K CA -0.252 56.001 56.287 -0.057 0.000 0.749 415 K CB -1.594 30.882 32.500 -0.041 0.000 1.403 415 K HN 0.268 nan 8.250 nan 0.000 0.456 416 P HA -0.027 nan 4.420 nan 0.000 0.269 416 P C 0.137 177.350 177.300 -0.144 0.000 1.215 416 P CA 0.035 63.056 63.100 -0.132 0.000 0.780 416 P CB 0.588 32.189 31.700 -0.165 0.000 0.898 417 D N 0.112 120.423 120.400 -0.148 0.000 2.277 417 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 417 D C 0.524 176.691 176.300 -0.222 0.000 0.962 417 D CA 1.186 55.087 54.000 -0.166 0.000 0.865 417 D CB 0.248 40.969 40.800 -0.131 0.000 0.939 417 D HN 0.165 nan 8.370 nan 0.000 0.510 418 L N 0.256 121.348 121.223 -0.220 0.000 2.505 418 L HA 0.408 4.748 4.340 -0.000 0.000 0.259 418 L C -1.856 174.857 176.870 -0.261 0.000 0.952 418 L CA -0.579 54.117 54.840 -0.241 0.000 0.840 418 L CB 2.414 44.349 42.059 -0.207 0.000 1.358 418 L HN -0.266 nan 8.230 nan 0.000 0.409 419 I N 3.025 123.424 120.570 -0.284 0.000 2.474 419 I HA 0.701 4.871 4.170 -0.000 0.000 0.294 419 I C 0.221 176.007 176.117 -0.552 0.000 1.005 419 I CA -0.599 60.485 61.300 -0.360 0.000 1.113 419 I CB 2.168 39.984 38.000 -0.306 0.000 1.289 419 I HN 0.782 nan 8.210 nan 0.000 0.436 420 G N 3.076 111.622 108.800 -0.422 0.000 2.502 420 G HA2 0.614 4.574 3.960 -0.000 0.000 0.311 420 G HA3 0.614 4.574 3.960 -0.000 0.000 0.311 420 G C -0.795 173.948 174.900 -0.262 0.000 1.270 420 G CA -0.126 44.750 45.100 -0.372 0.000 0.948 420 G HN 0.583 nan 8.290 nan 0.000 0.487 421 S N 0.774 116.323 115.700 -0.251 0.000 3.407 421 S HA 0.836 5.306 4.470 -0.000 0.000 0.315 421 S C 0.315 175.224 174.600 0.515 0.000 1.211 421 S CA 0.276 58.616 58.200 0.233 0.000 1.148 421 S CB 0.570 64.036 63.200 0.444 0.000 1.511 421 S HN 1.189 nan 8.310 nan 0.000 0.604 422 G N 0.548 109.717 108.800 0.614 0.000 2.820 422 G HA2 0.550 4.510 3.960 -0.000 0.000 0.291 422 G HA3 0.550 4.510 3.960 -0.000 0.000 0.291 422 G C 0.398 175.431 174.900 0.222 0.000 1.323 422 G CA -0.298 44.999 45.100 0.329 0.000 1.055 422 G HN 0.594 nan 8.290 nan 0.000 0.520 423 I N -0.577 120.010 120.570 0.028 0.000 2.394 423 I HA 0.014 4.183 4.170 -0.000 0.000 0.251 423 I C 2.370 178.464 176.117 -0.037 0.000 1.136 423 I CA 1.397 62.687 61.300 -0.017 0.000 1.425 423 I CB -0.058 37.968 38.000 0.042 0.000 1.079 423 I HN 0.476 nan 8.210 nan 0.000 0.425 424 K N -0.053 120.357 120.400 0.017 0.000 2.366 424 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 424 K C 1.536 178.124 176.600 -0.019 0.000 1.044 424 K CA 0.946 57.246 56.287 0.022 0.000 0.973 424 K CB 0.058 32.590 32.500 0.053 0.000 0.767 424 K HN 0.293 nan 8.250 nan 0.000 0.475 425 E N 0.821 121.029 120.200 0.014 0.000 2.276 425 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 425 E C 1.555 177.909 176.600 -0.410 0.000 0.983 425 E CA 0.451 56.866 56.400 0.026 0.000 0.861 425 E CB 0.172 30.195 29.700 0.538 0.000 0.817 425 E HN 0.135 nan 8.360 nan 0.000 0.485 426 K N 0.170 120.031 120.400 -0.899 0.000 2.001 426 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 426 K C 1.280 177.293 176.600 -0.977 0.000 1.050 426 K CA 1.603 56.814 56.287 -1.794 0.000 0.934 426 K CB -0.213 31.444 32.500 -1.405 0.000 0.718 426 K HN 0.142 nan 8.250 nan 0.000 0.443 427 Y N 0.477 120.573 120.300 -0.339 0.000 2.516 427 Y HA 0.020 4.570 4.550 -0.001 0.000 0.291 427 Y C 1.883 177.667 175.900 -0.194 0.000 1.131 427 Y CA 0.426 58.416 58.100 -0.184 0.000 1.281 427 Y CB -0.154 38.239 38.460 -0.112 0.000 1.013 427 Y HN 0.070 nan 8.280 nan 0.000 0.554 428 I N -1.457 118.970 120.570 -0.238 0.000 2.193 428 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 428 I C 1.639 177.555 176.117 -0.336 0.000 1.084 428 I CA 1.323 62.403 61.300 -0.367 0.000 1.365 428 I CB -0.406 37.174 38.000 -0.700 0.000 1.064 428 I HN 0.029 nan 8.210 nan 0.000 0.410 429 F N 0.924 120.854 119.950 -0.033 0.000 2.259 429 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 429 F C 2.630 178.500 175.800 0.117 0.000 1.088 429 F CA 0.985 59.021 58.000 0.060 0.000 1.358 429 F CB -0.895 38.212 39.000 0.179 0.000 1.040 429 F HN 0.076 nan 8.300 nan 0.000 0.505 430 Q N 0.354 120.306 119.800 0.254 0.000 2.124 430 Q HA -0.209 4.130 4.340 -0.000 0.000 0.202 430 Q C 2.038 178.241 176.000 0.338 0.000 0.977 430 Q CA 1.464 57.517 55.803 0.417 0.000 0.850 430 Q CB -0.253 28.704 28.738 0.365 0.000 0.901 430 Q HN 0.416 nan 8.270 nan 0.000 0.429 431 K N 0.114 120.622 120.400 0.181 0.000 2.211 431 K HA -0.040 4.279 4.320 -0.000 0.000 0.203 431 K C 1.746 178.425 176.600 0.131 0.000 1.050 431 K CA 0.896 57.257 56.287 0.123 0.000 0.945 431 K CB 0.040 32.570 32.500 0.050 0.000 0.732 431 K HN 0.236 nan 8.250 nan 0.000 0.451 432 M N -0.388 119.303 119.600 0.153 0.000 2.659 432 M HA 0.042 4.521 4.480 -0.000 0.000 0.243 432 M C 0.757 177.161 176.300 0.172 0.000 1.111 432 M CA 0.776 56.166 55.300 0.151 0.000 1.070 432 M CB 0.404 33.120 32.600 0.193 0.000 1.525 432 M HN 0.402 nan 8.290 nan 0.000 0.517 433 G N 0.867 109.824 108.800 0.262 0.000 2.132 433 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.228 433 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.228 433 G C -0.199 174.743 174.900 0.071 0.000 1.000 433 G CA -0.299 44.993 45.100 0.321 0.000 0.693 433 G HN 0.319 nan 8.290 nan 0.000 0.515 434 V N 1.130 121.035 119.914 -0.015 0.000 2.347 434 V HA 0.447 4.567 4.120 -0.000 0.000 0.280 434 V C -1.680 174.063 176.094 -0.585 0.000 1.021 434 V CA -1.963 60.172 62.300 -0.276 0.000 0.847 434 V CB 1.700 33.485 31.823 -0.064 0.000 0.990 434 V HN 0.091 nan 8.190 nan 0.000 0.444 435 P HA 0.033 nan 4.420 nan 0.000 0.263 435 P C -0.972 176.226 177.300 -0.170 0.000 1.175 435 P CA 0.474 63.005 63.100 -0.949 0.000 0.761 435 P CB 0.107 31.292 31.700 -0.858 0.000 0.794 436 F N 3.755 123.695 119.950 -0.018 0.000 2.561 436 F HA 0.490 5.016 4.527 -0.001 0.000 0.313 436 F C -0.564 175.302 175.800 0.109 0.000 1.126 436 F CA -0.791 57.245 58.000 0.059 0.000 0.918 436 F CB 1.573 40.656 39.000 0.138 0.000 1.199 436 F HN 0.050 nan 8.300 nan 0.000 0.444 437 R N 4.543 124.875 120.500 -0.280 0.000 2.534 437 R HA 0.294 4.634 4.340 -0.000 0.000 0.301 437 R C -0.959 175.292 176.300 -0.083 0.000 0.961 437 R CA -0.877 55.225 56.100 0.003 0.000 0.871 437 R CB 1.951 32.285 30.300 0.057 0.000 1.170 437 R HN 0.764 nan 8.270 nan 0.000 0.446 438 Q N 2.731 122.678 119.800 0.245 0.000 2.271 438 Q HA 0.119 4.459 4.340 -0.000 0.000 0.273 438 Q C 0.536 176.705 176.000 0.282 0.000 1.051 438 Q CA 0.394 56.367 55.803 0.282 0.000 0.901 438 Q CB 0.817 29.655 28.738 0.167 0.000 1.174 438 Q HN 0.243 nan 8.270 nan 0.000 0.385 439 M N 2.410 122.165 119.600 0.258 0.000 2.475 439 M HA 0.092 4.571 4.480 -0.000 0.000 0.283 439 M C 0.495 176.759 176.300 -0.060 0.000 1.165 439 M CA 0.446 55.942 55.300 0.327 0.000 0.976 439 M CB -0.167 32.598 32.600 0.274 0.000 1.428 439 M HN 0.665 nan 8.290 nan 0.000 0.495 440 H N -1.025 117.943 119.070 -0.170 0.000 2.348 440 H HA 0.163 4.718 4.556 -0.000 0.000 0.306 440 H C 1.781 176.743 175.328 -0.609 0.000 1.034 440 H CA 1.333 57.165 56.048 -0.361 0.000 1.395 440 H CB 0.168 29.831 29.762 -0.164 0.000 1.495 440 H HN 0.358 nan 8.280 nan 0.000 0.616 441 S N -0.329 115.241 115.700 -0.218 0.000 2.603 441 S HA -0.100 4.370 4.470 -0.000 0.000 0.220 441 S C 0.301 174.738 174.600 -0.271 0.000 0.967 441 S CA -0.134 57.883 58.200 -0.304 0.000 0.920 441 S CB -0.775 62.290 63.200 -0.226 0.000 0.773 441 S HN 0.674 nan 8.310 nan 0.000 0.529 442 W N 1.058 122.245 121.300 -0.189 0.000 3.834 442 W HA -0.199 4.461 4.660 -0.000 0.000 0.320 442 W C -0.102 176.285 176.519 -0.221 0.000 1.201 442 W CA 0.031 57.204 57.345 -0.286 0.000 0.701 442 W CB -2.478 26.612 29.460 -0.615 0.000 2.264 442 W HN 0.299 nan 8.180 nan 0.000 1.413 443 D N -0.649 119.675 120.400 -0.126 0.000 2.689 443 D HA -0.250 4.389 4.640 -0.000 0.000 0.237 443 D C 0.167 176.291 176.300 -0.293 0.000 1.148 443 D CA 2.314 56.107 54.000 -0.345 0.000 0.656 443 D CB -1.286 39.537 40.800 0.039 0.000 1.050 443 D HN 0.592 nan 8.370 nan 0.000 0.426 444 Y N -3.219 117.180 120.300 0.165 0.000 4.490 444 Y HA -0.296 4.254 4.550 -0.000 0.000 0.233 444 Y C 1.177 177.160 175.900 0.137 0.000 1.101 444 Y CA 1.043 59.227 58.100 0.140 0.000 2.010 444 Y CB -2.186 36.357 38.460 0.138 0.000 1.622 444 Y HN 0.225 nan 8.280 nan 0.000 0.675 445 S N -1.150 114.645 115.700 0.159 0.000 3.986 445 S HA 0.851 5.320 4.470 -0.000 0.000 0.228 445 S C 0.809 175.424 174.600 0.025 0.000 1.044 445 S CA 0.608 58.882 58.200 0.122 0.000 1.556 445 S CB 1.233 64.516 63.200 0.138 0.000 1.056 445 S HN 1.792 nan 8.310 nan 0.000 0.715 446 G N 1.207 109.925 108.800 -0.137 0.000 2.795 446 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.664 446 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.664 446 G C -3.081 171.806 174.900 -0.022 0.000 1.381 446 G CA -0.368 44.547 45.100 -0.308 0.000 0.853 446 G HN 0.646 nan 8.290 nan 0.000 0.545 447 P HA 0.337 nan 4.420 nan 0.000 0.274 447 P C -0.225 177.030 177.300 -0.076 0.000 1.237 447 P CA -0.022 63.034 63.100 -0.073 0.000 0.793 447 P CB 0.548 32.267 31.700 0.032 0.000 0.977 448 Y N -1.808 118.255 120.300 -0.394 0.000 2.462 448 Y HA 0.159 4.709 4.550 -0.000 0.000 0.253 448 Y C 1.554 177.381 175.900 -0.122 0.000 1.095 448 Y CA -0.369 57.514 58.100 -0.361 0.000 1.283 448 Y CB -0.994 37.007 38.460 -0.764 0.000 1.138 448 Y HN 0.412 nan 8.280 nan 0.000 0.522 449 H N -0.285 118.711 119.070 -0.122 0.000 2.679 449 H HA 0.388 4.944 4.556 -0.000 0.000 0.369 449 H C 1.021 176.248 175.328 -0.168 0.000 1.178 449 H CA 0.367 56.244 56.048 -0.285 0.000 1.419 449 H CB 0.597 30.214 29.762 -0.241 0.000 1.458 449 H HN 0.342 nan 8.280 nan 0.000 0.605 450 G N 0.024 108.717 108.800 -0.177 0.000 2.828 450 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.463 450 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.463 450 G C -0.207 174.516 174.900 -0.295 0.000 1.394 450 G CA 0.030 44.905 45.100 -0.375 0.000 0.862 450 G HN 0.587 nan 8.290 nan 0.000 0.540 451 Y N 0.148 120.251 120.300 -0.328 0.000 2.200 451 Y HA 0.001 4.551 4.550 -0.000 0.000 0.290 451 Y C 2.816 178.709 175.900 -0.011 0.000 1.137 451 Y CA 1.925 59.883 58.100 -0.237 0.000 1.163 451 Y CB -0.244 37.867 38.460 -0.581 0.000 0.988 451 Y HN 0.528 nan 8.280 nan 0.000 0.518 452 D N -1.056 119.434 120.400 0.150 0.000 2.219 452 D HA -0.087 4.552 4.640 -0.000 0.000 0.205 452 D C 2.385 178.773 176.300 0.147 0.000 0.970 452 D CA 1.299 55.402 54.000 0.172 0.000 0.851 452 D CB -0.588 40.311 40.800 0.164 0.000 0.943 452 D HN 0.409 nan 8.370 nan 0.000 0.488 453 G N -0.193 108.682 108.800 0.124 0.000 2.421 453 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 453 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 453 G C 1.398 176.389 174.900 0.151 0.000 1.143 453 G CA -0.066 45.114 45.100 0.132 0.000 0.784 453 G HN 0.207 nan 8.290 nan 0.000 0.541 454 F N 2.573 122.518 119.950 -0.008 0.000 2.216 454 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 454 F C 2.683 178.498 175.800 0.025 0.000 1.085 454 F CA 0.888 58.882 58.000 -0.012 0.000 1.326 454 F CB -0.225 38.776 39.000 0.000 0.000 1.027 454 F HN 0.221 nan 8.300 nan 0.000 0.497 455 A N 0.693 123.513 122.820 0.000 0.000 1.883 455 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 455 A C 2.313 179.774 177.584 -0.205 0.000 1.186 455 A CA 2.100 54.074 52.037 -0.105 0.000 0.624 455 A CB -1.174 17.858 19.000 0.054 0.000 0.822 455 A HN 0.465 nan 8.150 nan 0.000 0.444 456 I N -1.965 118.561 120.570 -0.073 0.000 2.252 456 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 456 I C 2.349 178.359 176.117 -0.180 0.000 1.102 456 I CA 1.443 62.719 61.300 -0.039 0.000 1.385 456 I CB -0.379 37.695 38.000 0.124 0.000 1.064 456 I HN 0.439 nan 8.210 nan 0.000 0.414 457 F N 2.061 121.678 119.950 -0.555 0.000 2.126 457 F HA -0.255 4.271 4.527 -0.001 0.000 0.299 457 F C 2.449 177.750 175.800 -0.831 0.000 1.096 457 F CA 1.490 58.830 58.000 -1.101 0.000 1.255 457 F CB -0.352 37.976 39.000 -1.119 0.000 0.997 457 F HN 0.002 nan 8.300 nan 0.000 0.479 458 A N 0.837 123.142 122.820 -0.859 0.000 1.873 458 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 458 A C 2.436 179.327 177.584 -1.156 0.000 1.186 458 A CA 1.621 53.046 52.037 -1.019 0.000 0.616 458 A CB -0.969 17.435 19.000 -0.994 0.000 0.823 458 A HN 0.475 nan 8.150 nan 0.000 0.442 459 R N -0.324 119.510 120.500 -1.111 0.000 2.096 459 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 459 R C 1.424 177.465 176.300 -0.432 0.000 1.139 459 R CA 2.227 57.854 56.100 -0.788 0.000 0.952 459 R CB -0.456 29.631 30.300 -0.354 0.000 0.854 459 R HN 0.457 nan 8.270 nan 0.000 0.436 460 D N -0.131 120.045 120.400 -0.374 0.000 2.144 460 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 460 D C 1.966 178.110 176.300 -0.260 0.000 0.978 460 D CA 1.093 54.966 54.000 -0.212 0.000 0.833 460 D CB -0.080 40.667 40.800 -0.089 0.000 0.961 460 D HN 0.233 nan 8.370 nan 0.000 0.470 461 M N 0.397 119.696 119.600 -0.502 0.000 2.175 461 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 461 M C 1.771 177.943 176.300 -0.213 0.000 1.063 461 M CA 1.097 56.162 55.300 -0.390 0.000 1.119 461 M CB -0.915 31.327 32.600 -0.596 0.000 1.377 461 M HN -0.011 nan 8.290 nan 0.000 0.415 462 D N 0.361 120.631 120.400 -0.217 0.000 2.117 462 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 462 D C 2.135 178.445 176.300 0.016 0.000 0.982 462 D CA 1.298 55.269 54.000 -0.049 0.000 0.828 462 D CB -0.082 40.755 40.800 0.062 0.000 0.967 462 D HN 0.319 nan 8.370 nan 0.000 0.464 463 M N -0.438 119.161 119.600 -0.003 0.000 2.080 463 M HA -0.177 4.302 4.480 -0.000 0.000 0.260 463 M C 1.551 177.926 176.300 0.125 0.000 1.068 463 M CA 1.837 57.176 55.300 0.064 0.000 1.109 463 M CB -0.255 32.373 32.600 0.046 0.000 1.342 463 M HN -0.022 nan 8.290 nan 0.000 0.405 464 T N 1.088 115.715 114.554 0.120 0.000 2.894 464 T HA -0.029 4.321 4.350 -0.000 0.000 0.258 464 T C 1.624 176.468 174.700 0.241 0.000 1.043 464 T CA 1.149 63.397 62.100 0.246 0.000 1.141 464 T CB -0.242 68.750 68.868 0.207 0.000 0.873 464 T HN 0.388 nan 8.240 nan 0.000 0.449 465 L N 1.980 123.234 121.223 0.051 0.000 2.046 465 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 465 L C 1.326 178.229 176.870 0.056 0.000 1.077 465 L CA 1.711 56.525 54.840 -0.044 0.000 0.747 465 L CB -0.461 41.560 42.059 -0.063 0.000 0.896 465 L HN 0.111 nan 8.230 nan 0.000 0.432 466 N N -0.155 118.619 118.700 0.123 0.000 2.268 466 N HA 0.007 4.747 4.740 -0.000 0.000 0.204 466 N C -0.022 175.616 175.510 0.212 0.000 1.124 466 N CA -0.014 53.122 53.050 0.144 0.000 0.838 466 N CB -0.471 38.070 38.487 0.090 0.000 0.994 466 N HN 0.435 nan 8.380 nan 0.000 0.489 467 N N 2.197 121.098 118.700 0.334 0.000 2.454 467 N HA 0.004 4.743 4.740 -0.000 0.000 0.254 467 N C -1.601 174.014 175.510 0.174 0.000 1.228 467 N CA -0.898 52.287 53.050 0.225 0.000 0.900 467 N CB 1.628 40.229 38.487 0.191 0.000 1.089 467 N HN -0.043 nan 8.380 nan 0.000 0.449 468 P HA -0.021 nan 4.420 nan 0.000 0.223 468 P C 0.616 177.907 177.300 -0.015 0.000 1.151 468 P CA 0.764 63.890 63.100 0.043 0.000 0.787 468 P CB 0.060 31.773 31.700 0.022 0.000 0.788 469 A N -1.359 121.374 122.820 -0.146 0.000 2.121 469 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 469 A C 1.820 179.243 177.584 -0.268 0.000 1.154 469 A CA 0.635 52.522 52.037 -0.251 0.000 0.679 469 A CB -1.695 17.066 19.000 -0.398 0.000 0.795 469 A HN 0.234 nan 8.150 nan 0.000 0.458 470 W N 0.396 121.714 121.300 0.029 0.000 2.611 470 W HA -0.025 4.635 4.660 -0.000 0.000 0.251 470 W C 1.270 177.797 176.519 0.013 0.000 1.265 470 W CA 0.332 57.693 57.345 0.027 0.000 1.295 470 W CB -0.033 29.447 29.460 0.033 0.000 1.129 470 W HN 0.300 nan 8.180 nan 0.000 0.630 471 N N 0.409 119.214 118.700 0.174 0.000 2.383 471 N HA -0.046 4.694 4.740 -0.000 0.000 0.192 471 N C 0.757 176.291 175.510 0.040 0.000 1.141 471 N CA 0.816 53.926 53.050 0.100 0.000 0.851 471 N CB 0.070 38.602 38.487 0.076 0.000 0.976 471 N HN 0.249 nan 8.380 nan 0.000 0.465 472 E N 0.004 120.212 120.200 0.014 0.000 2.660 472 E HA 0.170 4.519 4.350 -0.000 0.000 0.216 472 E C 1.233 177.804 176.600 -0.047 0.000 0.986 472 E CA -0.171 56.210 56.400 -0.032 0.000 1.037 472 E CB 0.459 30.128 29.700 -0.052 0.000 1.041 472 E HN 0.163 nan 8.360 nan 0.000 0.480 473 L N 0.481 121.699 121.223 -0.008 0.000 2.093 473 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 473 L C 1.054 177.887 176.870 -0.062 0.000 1.085 473 L CA 1.359 56.193 54.840 -0.011 0.000 0.755 473 L CB -0.279 41.819 42.059 0.065 0.000 0.904 473 L HN -0.123 nan 8.230 nan 0.000 0.435 474 T N 0.593 115.101 114.554 -0.078 0.000 2.806 474 T HA 0.570 4.920 4.350 -0.000 0.000 0.290 474 T C 0.296 174.838 174.700 -0.263 0.000 0.966 474 T CA -0.531 61.480 62.100 -0.148 0.000 1.060 474 T CB 1.241 70.044 68.868 -0.109 0.000 0.927 474 T HN 0.238 nan 8.240 nan 0.000 0.485 475 A N 5.462 128.008 122.820 -0.458 0.000 2.520 475 A HA 0.328 4.647 4.320 -0.000 0.000 0.235 475 A C -0.794 176.387 177.584 -0.673 0.000 1.065 475 A CA -1.064 50.472 52.037 -0.834 0.000 0.764 475 A CB -0.068 17.883 19.000 -1.748 0.000 1.002 475 A HN 0.582 nan 8.150 nan 0.000 0.502 476 P HA -0.087 nan 4.420 nan 0.000 0.226 476 P C 0.781 178.075 177.300 -0.010 0.000 1.153 476 P CA 1.338 64.362 63.100 -0.127 0.000 0.777 476 P CB -0.134 31.579 31.700 0.022 0.000 0.794 477 W N -0.629 120.678 121.300 0.011 0.000 3.256 477 W HA 0.354 5.013 4.660 -0.000 0.000 0.269 477 W C 0.362 176.887 176.519 0.011 0.000 1.310 477 W CA -0.400 56.951 57.345 0.010 0.000 1.673 477 W CB -1.038 28.427 29.460 0.008 0.000 1.115 477 W HN -0.264 nan 8.180 nan 0.000 0.686 478 L N 0.000 121.091 121.223 -0.221 0.000 2.949 478 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 478 L CA 0.000 54.759 54.840 -0.135 0.000 0.813 478 L CB 0.000 41.908 42.059 -0.251 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502